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]+ 406.176126 198.1
[M+Na]+ 428.158068 207.3
[M-H]- 404.161574 203.9
[M+NH4]+ 423.202673 209.3
[M+K]+ 444.132008 201.9
[M+H-H2O]+ 388.166110 188.3
[M+HCOO]- 450.167051 217.4
[M+CH3COO]- 464.182701 226.9
[M+Na-2H]- 426.143516 200.5
[M]+ 405.16830142 204.9
[M]- 405.16939858 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.