PubChemLite - Cis-methylethyl 6-[(methylethyl)oxycarbonyl]-5,6,7,10a,7a-pentahydropyrrolidino[3,4-c]4ah-carbazole-6-carboxylate (C22H28N2O4)

Structural Information

Molecular Formula

SMILES

CC(C)OC(=O)C1(C[C@H]2CNC[C@H]2C3=C1NC4=CC=CC=C43)C(=O)OC(C)C

InChI

InChI=1S/C22H28N2O4/c1-12(2)27-20(25)22(21(26)28-13(3)4)9-14-10-23-11-16(14)18-15-7-5-6-8-17(15)24-19(18)22/h5-8,12-14,16,23-24H,9-11H2,1-4H3/t14-,16+/m0/s1

InChIKey

HPOMQJHKLVEPML-GOEBONIOSA-N

Compound name

dipropan-2-yl (3aR,10cR)-2,3,3a,4,6,10c-hexahydro-1H-pyrrolo[3,4-c]carbazole-5,5-dicarboxylate

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	385.21218	195.2
[M+Na]+	407.19412	200.1
[M-H]-	383.19762	195.8
[M+NH4]+	402.23872	211.0
[M+K]+	423.16806	195.7
[M+H-H2O]+	367.20216	188.8
[M+HCOO]-	429.20310	204.6
[M+CH3COO]-	443.21875	216.4
[M+Na-2H]-	405.17957	191.9
[M]+	384.20435	195.2
[M]-	384.20545	195.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

385.21218

195.2

[M+Na]+

407.19412

200.1

[M-H]-

383.19762

195.8

[M+NH4]+

402.23872

211.0

[M+K]+

423.16806

195.7

[M+H-H2O]+

367.20216

188.8

[M+HCOO]-

429.20310

204.6

[M+CH3COO]-

443.21875

216.4

[M+Na-2H]-

405.17957

191.9

[M]+

384.20435

195.2

[M]-

384.20545

195.2

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Cis-methylethyl 6-[(methylethyl)oxycarbonyl]-5,6,7,10a,7a-pentahydropyrrolidino[3,4-c]4ah-carbazole-6-carboxylate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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