CID 3058121

74627-39-7

Structural Information

Molecular Formula
C20H24N4O
SMILES
CN1C[C@@H](CC2[C@H]1CC3=CN(C4=CC=CC2=C34)C)CC(C#N)C(=O)N
InChI
InChI=1S/C20H24N4O/c1-23-10-12(6-13(9-21)20(22)25)7-16-15-4-3-5-17-19(15)14(8-18(16)23)11-24(17)2/h3-5,11-13,16,18H,6-8,10H2,1-2H3,(H2,22,25)/t12-,13?,16?,18-/m1/s1
InChIKey
VUNAPZBJNFALSC-ZJZIODQPSA-N
Compound name
3-[(6aR,9S)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]-2-cyanopropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.195 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.20228 184.6
[M+Na]+ 359.18422 193.7
[M-H]- 335.18772 185.0
[M+NH4]+ 354.22882 198.3
[M+K]+ 375.15816 184.3
[M+H-H2O]+ 319.19226 169.9
[M+HCOO]- 381.19320 194.2
[M+CH3COO]- 395.20885 191.7
[M+Na-2H]- 357.16967 183.8
[M]+ 336.19445 178.2
[M]- 336.19555 178.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.