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]+ 348.170676 182.7
[M+Na]+ 370.152618 190.1
[M-H]- 346.156124 187.2
[M+NH4]+ 365.197223 195.8
[M+K]+ 386.126558 182.9
[M+H-H2O]+ 330.160660 173.2
[M+HCOO]- 392.161601 200.0
[M+CH3COO]- 406.177251 192.0
[M+Na-2H]- 368.138066 185.4
[M]+ 347.16285142 181.8
[M]- 347.16394858 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.