CID 5745840

Gpa 699

Structural Information

Molecular Formula
C22H21N3O3
SMILES
CC1=NC(=CC2=C1NC3=CC=CC=C32)CNC(=O)C4=CC(=C(C=C4)OC)OC
InChI
InChI=1S/C22H21N3O3/c1-13-21-17(16-6-4-5-7-18(16)25-21)11-15(24-13)12-23-22(26)14-8-9-19(27-2)20(10-14)28-3/h4-11,25H,12H2,1-3H3,(H,23,26)
InChIKey
DUTHEJYRWZFCAM-UHFFFAOYSA-N
Compound name
3,4-dimethoxy-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

375.1583 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.16558 191.0
[M+Na]+ 398.14752 205.9
[M+NH4]+ 393.19212 198.0
[M+K]+ 414.12146 199.8
[M-H]- 374.15102 195.0
[M+Na-2H]- 396.13297 197.5
[M]+ 375.15775 194.3
[M]- 375.15885 194.3
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.