CID 5745842

Gpa 703

Structural Information

Molecular Formula
C21H19N3O
SMILES
CC1=CC=C(C=C1)C(=O)NCC2=CC3=C(C(=N2)C)NC4=CC=CC=C43
InChI
InChI=1S/C21H19N3O/c1-13-7-9-15(10-8-13)21(25)22-12-16-11-18-17-5-3-4-6-19(17)24-20(18)14(2)23-16/h3-11,24H,12H2,1-2H3,(H,22,25)
InChIKey
YYTLYUBIYOCQPN-UHFFFAOYSA-N
Compound name
4-methyl-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

329.1528 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.16008 179.1
[M+Na]+ 352.14202 188.6
[M-H]- 328.14552 184.6
[M+NH4]+ 347.18662 193.4
[M+K]+ 368.11596 180.9
[M+H-H2O]+ 312.15006 169.9
[M+HCOO]- 374.15100 199.0
[M+CH3COO]- 388.16665 189.7
[M+Na-2H]- 350.12747 183.7
[M]+ 329.15225 180.4
[M]- 329.15335 180.4
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.