CID 3061025

9h-pyrido(3,4-b)indole-3-carboxamide, n-ethyl-

Structural Information

Molecular Formula
C14H13N3O
SMILES
CCNC(=O)C1=NC=C2C(=C1)C3=CC=CC=C3N2
InChI
InChI=1S/C14H13N3O/c1-2-15-14(18)12-7-10-9-5-3-4-6-11(9)17-13(10)8-16-12/h3-8,17H,2H2,1H3,(H,15,18)
InChIKey
NRKZACKCRYRQIG-UHFFFAOYSA-N
Compound name
N-ethyl-9H-pyrido[3,4-b]indole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

239.10587 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.113146 152.1
[M+Na]+ 262.095088 161.7
[M-H]- 238.098594 154.3
[M+NH4]+ 257.139693 170.2
[M+K]+ 278.069028 156.2
[M+H-H2O]+ 222.103130 144.5
[M+HCOO]- 284.104071 173.3
[M+CH3COO]- 298.119721 164.3
[M+Na-2H]- 260.080536 159.7
[M]+ 239.10532142 152.9
[M]- 239.10641858 152.9
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

patents stripe