CID 3075524

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

Structural Information

Molecular Formula
C21H21N3O2
SMILES
CN1C2=C(C=C(C=C2)C(=O)NCCC3=CC=CC=C3)C4=C1C(=O)NCC4
InChI
InChI=1S/C21H21N3O2/c1-24-18-8-7-15(13-17(18)16-10-12-23-21(26)19(16)24)20(25)22-11-9-14-5-3-2-4-6-14/h2-8,13H,9-12H2,1H3,(H,22,25)(H,23,26)
InChIKey
BDLVNVVTRABVEZ-UHFFFAOYSA-N
Compound name
9-methyl-1-oxo-N-(2-phenylethyl)-3,4-dihydro-2H-pyrido[3,4-b]indole-6-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.1634 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.17068 182.7
[M+Na]+ 370.15262 190.1
[M-H]- 346.15612 187.2
[M+NH4]+ 365.19722 195.8
[M+K]+ 386.12656 182.9
[M+H-H2O]+ 330.16066 173.2
[M+HCOO]- 392.16160 200.0
[M+CH3COO]- 406.17725 192.0
[M+Na-2H]- 368.13807 185.4
[M]+ 347.16285 181.8
[M]- 347.16395 181.8
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.