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 192.5
[M+Na]+ 416.15807 199.3
[M-H]- 392.16157 196.0
[M+NH4]+ 411.20267 203.1
[M+K]+ 432.13201 193.0
[M+H-H2O]+ 376.16611 183.2
[M+HCOO]- 438.16705 208.2
[M+CH3COO]- 452.18270 200.8
[M+Na-2H]- 414.14352 194.1
[M]+ 393.16830 193.5
[M]- 393.16940 193.5
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.