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 177.8
[M+Na]+ 344.17332 190.6
[M+NH4]+ 339.21792 186.1
[M+K]+ 360.14726 184.2
[M-H]- 320.17682 182.0
[M+Na-2H]- 342.15877 183.6
[M]+ 321.18355 180.7
[M]- 321.18465 180.7
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.