PubChemLite - Sdz-208-911 (C21H29N3O)

Structural Information

Molecular Formula

SMILES

CC1=C2C[C@@H]3[C@H](C[C@@H](CN3C)NC(=O)C(C)(C)C)C4=C2C(=CC=C4)N1

InChI

InChI=1S/C21H29N3O/c1-12-15-10-18-16(14-7-6-8-17(22-12)19(14)15)9-13(11-24(18)5)23-20(25)21(2,3)4/h6-8,13,16,18,22H,9-11H2,1-5H3,(H,23,25)/t13-,16+,18+/m0/s1

InChIKey

ZNMWUMGOSWLWOH-FDQGKXFDSA-N

Compound name

N-[(6aR,9S,10aR)-5,7-dimethyl-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]+	340.23833	183.8
[M+Na]+	362.22027	194.8
[M+NH4]+	357.26487	191.7
[M+K]+	378.19421	189.9
[M-H]-	338.22377	185.2
[M+Na-2H]-	360.20572	184.8
[M]+	339.23050	185.7
[M]-	339.23160	185.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

340.23833

183.8

[M+Na]+

362.22027

194.8

[M+NH4]+

357.26487

191.7

[M+K]+

378.19421

189.9

[M-H]-

338.22377

185.2

[M+Na-2H]-

360.20572

184.8

[M]+

339.23050

185.7

[M]-

339.23160

185.7

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

Sdz-208-911

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe