CID 5745834

Gpa 628

Structural Information

Molecular Formula
C23H23N3O4
SMILES
CC1=NC(=CC2=C1NC3=CC=CC=C32)CNC(=O)C4=CC(=C(C(=C4)OC)OC)OC
InChI
InChI=1S/C23H23N3O4/c1-13-21-17(16-7-5-6-8-18(16)26-21)11-15(25-13)12-24-23(27)14-9-19(28-2)22(30-4)20(10-14)29-3/h5-11,26H,12H2,1-4H3,(H,24,27)
InChIKey
PBDXVIBLJCEDIV-UHFFFAOYSA-N
Compound name
3,4,5-trimethoxy-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

405.16885 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.17613 198.1
[M+Na]+ 428.15807 207.3
[M-H]- 404.16157 203.9
[M+NH4]+ 423.20267 209.3
[M+K]+ 444.13201 201.9
[M+H-H2O]+ 388.16611 188.3
[M+HCOO]- 450.16705 217.4
[M+CH3COO]- 464.18270 226.9
[M+Na-2H]- 426.14352 200.5
[M]+ 405.16830 204.9
[M]- 405.16940 204.9
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.