PubChemLite - Corymine (C22H26N2O4)

Structural Information

Molecular Formula

SMILES

C/C=C\1/CN2CCC34C2(C5CC1C3(C(O5)O)C(=O)OC)N(C6=CC=CC=C46)C

InChI

InChI=1S/C22H26N2O4/c1-4-13-12-24-10-9-20-14-7-5-6-8-16(14)23(2)22(20,24)17-11-15(13)21(20,18(25)27-3)19(26)28-17/h4-8,15,17,19,26H,9-12H2,1-3H3/b13-4-

InChIKey

KRTMWLRPHKYUJX-PQMHYQBVSA-N

Compound name

methyl (15E)-15-ethylidene-18-hydroxy-3-methyl-19-oxa-3,13-diazahexacyclo[14.3.1.02,10.02,13.04,9.010,17]icosa-4,6,8-triene-17-carboxylate

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]+	383.19655	187.3
[M+Na]+	405.17849	197.7
[M-H]-	381.18199	191.5
[M+NH4]+	400.22309	207.7
[M+K]+	421.15243	186.4
[M+H-H2O]+	365.18653	181.2
[M+HCOO]-	427.18747	189.8
[M+CH3COO]-	441.20312	194.4
[M+Na-2H]-	403.16394	191.0
[M]+	382.18872	188.3
[M]-	382.18982	188.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

383.19655

187.3

[M+Na]+

405.17849

197.7

[M-H]-

381.18199

191.5

[M+NH4]+

400.22309

207.7

[M+K]+

421.15243

186.4

[M+H-H2O]+

365.18653

181.2

[M+HCOO]-

427.18747

189.8

[M+CH3COO]-

441.20312

194.4

[M+Na-2H]-

403.16394

191.0

[M]+

382.18872

188.3

[M]-

382.18982

188.3

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

Corymine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe