CID 364145

Nsc629815

Structural Information

Molecular Formula
C14H13N3O2
SMILES
C1=CC=C2C(=C1)C3=CC(=NC=C3N2)C(=O)NCCO
InChI
InChI=1S/C14H13N3O2/c18-6-5-15-14(19)12-7-10-9-3-1-2-4-11(9)17-13(10)8-16-12/h1-4,7-8,17-18H,5-6H2,(H,15,19)
InChIKey
IMQKBAGAPSFKOB-UHFFFAOYSA-N
Compound name
N-(2-hydroxyethyl)-9H-pyrido[3,4-b]indole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.10077 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.10805 154.8
[M+Na]+ 278.08999 163.7
[M-H]- 254.09349 155.6
[M+NH4]+ 273.13459 171.4
[M+K]+ 294.06393 158.1
[M+H-H2O]+ 238.09803 147.4
[M+HCOO]- 300.09897 174.6
[M+CH3COO]- 314.11462 166.1
[M+Na-2H]- 276.07544 162.1
[M]+ 255.10022 155.2
[M]- 255.10132 155.2
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.