CID 3075522

184691-64-3

Structural Information

Molecular Formula
C17H21N3O3
SMILES
CC(C)(CO)NC(=O)C1=CC2=C(C=C1)N(C3=C2CCNC3=O)C
InChI
InChI=1S/C17H21N3O3/c1-17(2,9-21)19-15(22)10-4-5-13-12(8-10)11-6-7-18-16(23)14(11)20(13)3/h4-5,8,21H,6-7,9H2,1-3H3,(H,18,23)(H,19,22)
InChIKey
QHVJCBYHXQLABN-UHFFFAOYSA-N
Compound name
N-(1-hydroxy-2-methylpropan-2-yl)-9-methyl-1-oxo-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

315.1583 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.16558 175.4
[M+Na]+ 338.14752 183.1
[M-H]- 314.15102 175.9
[M+NH4]+ 333.19212 189.9
[M+K]+ 354.12146 178.0
[M+H-H2O]+ 298.15556 168.7
[M+HCOO]- 360.15650 189.8
[M+CH3COO]- 374.17215 206.5
[M+Na-2H]- 336.13297 178.8
[M]+ 315.15775 175.0
[M]- 315.15885 175.0
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.