PubChemLite - Sdz hdc 912 (C20H26ClN3O)

Structural Information

Molecular Formula

SMILES

CC(C)(C)C(=O)N[C@H]1C[C@H]2[C@@H](CC3=C(NC4=CC=CC2=C34)Cl)N(C1)C

InChI

InChI=1S/C20H26ClN3O/c1-20(2,3)19(25)22-11-8-13-12-6-5-7-15-17(12)14(18(21)23-15)9-16(13)24(4)10-11/h5-7,11,13,16,23H,8-10H2,1-4H3,(H,22,25)/t11-,13+,16+/m0/s1

InChIKey

QXOFQMUQMXGKGQ-NORZTCDRSA-N

Compound name

N-[(6aR,9S,10aR)-5-chloro-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-2,2-dimethylpropanamide

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]+	360.18373	190.7
[M+Na]+	382.16567	198.4
[M-H]-	358.16917	191.8
[M+NH4]+	377.21027	206.4
[M+K]+	398.13961	191.1
[M+H-H2O]+	342.17371	183.8
[M+HCOO]-	404.17465	197.1
[M+CH3COO]-	418.19030	199.0
[M+Na-2H]-	380.15112	192.3
[M]+	359.17590	191.1
[M]-	359.17700	191.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

360.18373

190.7

[M+Na]+

382.16567

198.4

[M-H]-

358.16917

191.8

[M+NH4]+

377.21027

206.4

[M+K]+

398.13961

191.1

[M+H-H2O]+

342.17371

183.8

[M+HCOO]-

404.17465

197.1

[M+CH3COO]-

418.19030

199.0

[M+Na-2H]-

380.15112

192.3

[M]+

359.17590

191.1

[M]-

359.17700

191.1

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

Sdz hdc 912

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe