CID 6481447

Chembl137553

Structural Information

Molecular Formula
C14H14N4O
SMILES
C1=CC=C2C(=C1)C3=CC(=NC=C3N2)C(=O)NCCN
InChI
InChI=1S/C14H14N4O/c15-5-6-16-14(19)12-7-10-9-3-1-2-4-11(9)18-13(10)8-17-12/h1-4,7-8,18H,5-6,15H2,(H,16,19)
InChIKey
CFSFPQYGWKCXPH-UHFFFAOYSA-N
Compound name
N-(2-aminoethyl)-9H-pyrido[3,4-b]indole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

254.11676 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.12404 154.5
[M+Na]+ 277.10598 163.2
[M-H]- 253.10948 156.2
[M+NH4]+ 272.15058 171.4
[M+K]+ 293.07992 157.5
[M+H-H2O]+ 237.11402 146.7
[M+HCOO]- 299.11496 176.1
[M+CH3COO]- 313.13061 165.9
[M+Na-2H]- 275.09143 161.9
[M]+ 254.11621 153.8
[M]- 254.11731 153.8
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.