CID 3075521

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

Structural Information

Molecular Formula
C16H19N3O3
SMILES
CC(C)(CO)NC(=O)C1=CC2=C(C=C1)NC3=C2CCNC3=O
InChI
InChI=1S/C16H19N3O3/c1-16(2,8-20)19-14(21)9-3-4-12-11(7-9)10-5-6-17-15(22)13(10)18-12/h3-4,7,18,20H,5-6,8H2,1-2H3,(H,17,22)(H,19,21)
InChIKey
XOFNALJIHSGJFY-UHFFFAOYSA-N
Compound name
N-(1-hydroxy-2-methylpropan-2-yl)-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

301.14264 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.14992 168.9
[M+Na]+ 324.13186 178.0
[M+NH4]+ 319.17646 174.3
[M+K]+ 340.10580 175.9
[M-H]- 300.13536 167.7
[M+Na-2H]- 322.11731 170.4
[M]+ 301.14209 169.4
[M]- 301.14319 169.4
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.