CID 135566361

825615-92-7

Structural Information

Molecular Formula
C17H13N5O
SMILES
C1=CC=C(C=C1)C(=O)NC2=C(NN=C2)C3=NC4=CC=CC=C4N3
InChI
InChI=1S/C17H13N5O/c23-17(11-6-2-1-3-7-11)21-14-10-18-22-15(14)16-19-12-8-4-5-9-13(12)20-16/h1-10H,(H,18,22)(H,19,20)(H,21,23)
InChIKey
FPKSFXFWECAIBR-UHFFFAOYSA-N
Compound name
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

28
Patents

303.112 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.11928 166.0
[M+Na]+ 326.10122 174.7
[M-H]- 302.10472 170.5
[M+NH4]+ 321.14582 178.0
[M+K]+ 342.07516 167.4
[M+H-H2O]+ 286.10926 156.0
[M+HCOO]- 348.11020 185.7
[M+CH3COO]- 362.12585 176.3
[M+Na-2H]- 324.08667 170.6
[M]+ 303.11145 164.3
[M]- 303.11255 164.3
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