PubChemLite - 4-ma (C24H40N2O2)

Structural Information

Molecular Formula

SMILES

CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CCC(=O)N4C)C)C

InChI

InChI=1S/C24H40N2O2/c1-6-26(7-2)22(28)19-10-9-17-16-8-11-20-24(4,15-13-21(27)25(20)5)18(16)12-14-23(17,19)3/h16-20H,6-15H2,1-5H3/t16-,17-,18-,19+,20+,23-,24+/m0/s1

InChIKey

GNWBLLYJQXKPIP-ZOGIJGBBSA-N

Compound name

(1S,3aS,3bS,5aR,9aR,9bS,11aS)-N,N-diethyl-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinoline-1-carboxamide

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]+	389.31628	198.5
[M+Na]+	411.29822	201.0
[M-H]-	387.30172	201.5
[M+NH4]+	406.34282	217.5
[M+K]+	427.27216	196.7
[M+H-H2O]+	371.30626	190.8
[M+HCOO]-	433.30720	205.6
[M+CH3COO]-	447.32285	230.6
[M+Na-2H]-	409.28367	194.5
[M]+	388.30845	192.9
[M]-	388.30955	192.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

389.31628

198.5

[M+Na]+

411.29822

201.0

[M-H]-

387.30172

201.5

[M+NH4]+

406.34282

217.5

[M+K]+

427.27216

196.7

[M+H-H2O]+

371.30626

190.8

[M+HCOO]-

433.30720

205.6

[M+CH3COO]-

447.32285

230.6

[M+Na-2H]-

409.28367

194.5

[M]+

388.30845

192.9

[M]-

388.30955

192.9

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

4-ma

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe