CID 120940

Brn 0767346

Structural Information

Molecular Formula
C22H24N4O
SMILES
CN1C[C@@H](C[C@H]2[C@H]1CC3=CNC4=CC=CC2=C34)CNC(=O)C5=CN=CC=C5
InChI
InChI=1S/C22H24N4O/c1-26-13-14(10-25-22(27)15-4-3-7-23-11-15)8-18-17-5-2-6-19-21(17)16(12-24-19)9-20(18)26/h2-7,11-12,14,18,20,24H,8-10,13H2,1H3,(H,25,27)/t14-,18+,20+/m0/s1
InChIKey
GQOZNFZKAFZNAP-BOUXLOLZSA-N
Compound name
N-[[(6aR,9S,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.195 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.20228 185.6
[M+Na]+ 383.18422 191.4
[M-H]- 359.18772 188.2
[M+NH4]+ 378.22882 197.7
[M+K]+ 399.15816 183.7
[M+H-H2O]+ 343.19226 174.8
[M+HCOO]- 405.19320 197.6
[M+CH3COO]- 419.20885 193.2
[M+Na-2H]- 381.16967 188.9
[M]+ 360.19445 182.5
[M]- 360.19555 182.5
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.