CID 3075525

1h-pyrido(3,4-b)indole-6-carboxamide, 2,3,4,9-tetrahydro-n-(2-(3,4-dimethoxyphenyl)ethyl)-1-oxo-

Structural Information

Molecular Formula
C22H23N3O4
SMILES
COC1=C(C=C(C=C1)CCNC(=O)C2=CC3=C(C=C2)NC4=C3CCNC4=O)OC
InChI
InChI=1S/C22H23N3O4/c1-28-18-6-3-13(11-19(18)29-2)7-9-23-21(26)14-4-5-17-16(12-14)15-8-10-24-22(27)20(15)25-17/h3-6,11-12,25H,7-10H2,1-2H3,(H,23,26)(H,24,27)
InChIKey
QNLVJBNAMVRXIO-UHFFFAOYSA-N
Compound name
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.16885 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.17613 194.7
[M+Na]+ 416.15807 206.7
[M+NH4]+ 411.20267 200.3
[M+K]+ 432.13201 202.0
[M-H]- 392.16157 197.1
[M+Na-2H]- 414.14352 198.4
[M]+ 393.16830 196.8
[M]- 393.16940 196.8
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.