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

4
Patents

239.10587 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.11315 152.1
[M+Na]+ 262.09509 161.7
[M-H]- 238.09859 154.3
[M+NH4]+ 257.13969 170.2
[M+K]+ 278.06903 156.2
[M+H-H2O]+ 222.10313 144.5
[M+HCOO]- 284.10407 173.3
[M+CH3COO]- 298.11972 164.3
[M+Na-2H]- 260.08054 159.7
[M]+ 239.10532 152.9
[M]- 239.10642 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