CID 5745841

Gpa 698

Structural Information

Molecular Formula
C21H19N3O2
SMILES
CC1=NC(=CC2=C1NC3=CC=CC=C32)CNC(=O)C4=CC=C(C=C4)OC
InChI
InChI=1S/C21H19N3O2/c1-13-20-18(17-5-3-4-6-19(17)24-20)11-15(23-13)12-22-21(25)14-7-9-16(26-2)10-8-14/h3-11,24H,12H2,1-2H3,(H,22,25)
InChIKey
HVSZDOAYKGAZOA-UHFFFAOYSA-N
Compound name
4-methoxy-N-[(1-methyl-9H-pyrido[3,4-b]indol-3-yl)methyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.14774 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.15502 182.9
[M+Na]+ 368.13696 198.2
[M+NH4]+ 363.18156 190.6
[M+K]+ 384.11090 191.6
[M-H]- 344.14046 187.4
[M+Na-2H]- 366.12241 190.4
[M]+ 345.14719 186.4
[M]- 345.14829 186.4
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.