CID 3075523

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

Structural Information

Molecular Formula
C20H19N3O2
SMILES
C1CNC(=O)C2=C1C3=C(N2)C=CC(=C3)C(=O)NCCC4=CC=CC=C4
InChI
InChI=1S/C20H19N3O2/c24-19(21-10-8-13-4-2-1-3-5-13)14-6-7-17-16(12-14)15-9-11-22-20(25)18(15)23-17/h1-7,12,23H,8-11H2,(H,21,24)(H,22,25)
InChIKey
WKBBEHQAENKQAP-UHFFFAOYSA-N
Compound name
1-oxo-N-(2-phenylethyl)-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

333.14774 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.15502 176.7
[M+Na]+ 356.13696 183.3
[M-H]- 332.14046 179.8
[M+NH4]+ 351.18156 189.5
[M+K]+ 372.11090 175.6
[M+H-H2O]+ 316.14500 167.7
[M+HCOO]- 378.14594 193.0
[M+CH3COO]- 392.16159 185.6
[M+Na-2H]- 354.12241 180.5
[M]+ 333.14719 173.4
[M]- 333.14829 173.4
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.