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

literature stripe

Patent stripe

patents stripe