CID 5745839

Gpa 775

Structural Information

Molecular Formula
C20H23N3O
SMILES
CC1=NC(=CC2=C1NC3=CC=CC=C32)CNC(=O)C4CCCCC4
InChI
InChI=1S/C20H23N3O/c1-13-19-17(16-9-5-6-10-18(16)23-19)11-15(22-13)12-21-20(24)14-7-3-2-4-8-14/h5-6,9-11,14,23H,2-4,7-8,12H2,1H3,(H,21,24)
InChIKey
HSYGRYGUMFBRCP-UHFFFAOYSA-N
Compound name
N-[(1-methyl-9H-pyrido[3,4-b]indol-3-yl)methyl]cyclohexanecarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.1841 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.191376 176.2
[M+Na]+ 344.173318 182.1
[M-H]- 320.176824 180.1
[M+NH4]+ 339.217923 190.3
[M+K]+ 360.147258 175.1
[M+H-H2O]+ 304.181360 166.7
[M+HCOO]- 366.182301 192.1
[M+CH3COO]- 380.197951 185.2
[M+Na-2H]- 342.158766 179.1
[M]+ 321.18355142 172.4
[M]- 321.18464858 172.4
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.