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]+ 322.19138 176.2
[M+Na]+ 344.17332 182.1
[M-H]- 320.17682 180.1
[M+NH4]+ 339.21792 190.3
[M+K]+ 360.14726 175.1
[M+H-H2O]+ 304.18136 166.7
[M+HCOO]- 366.18230 192.1
[M+CH3COO]- 380.19795 185.2
[M+Na-2H]- 342.15877 179.1
[M]+ 321.18355 172.4
[M]- 321.18465 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.