CID 5274829

Chembl360259

Structural Information

Molecular Formula
C15H14N4O2
SMILES
C1=CC(=C2C(=C1)NC(=N2)C3=CC=NC=C3)C(=O)NCCO
InChI
InChI=1S/C15H14N4O2/c20-9-8-17-15(21)11-2-1-3-12-13(11)19-14(18-12)10-4-6-16-7-5-10/h1-7,20H,8-9H2,(H,17,21)(H,18,19)
InChIKey
UXSHWSABSAGMII-UHFFFAOYSA-N
Compound name
N-(2-hydroxyethyl)-2-pyridin-4-yl-1H-benzimidazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

282.11166 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.11894 162.5
[M+Na]+ 305.10088 170.9
[M-H]- 281.10438 164.3
[M+NH4]+ 300.14548 175.3
[M+K]+ 321.07482 164.9
[M+H-H2O]+ 265.10892 153.3
[M+HCOO]- 327.10986 182.3
[M+CH3COO]- 341.12551 173.0
[M+Na-2H]- 303.08633 168.8
[M]+ 282.11111 162.4
[M]- 282.11221 162.4
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

No patent data available for this compound.