CID 26596

Parbendazole

Structural Information

Molecular Formula
C13H17N3O2
SMILES
CCCCC1=CC2=C(C=C1)N=C(N2)NC(=O)OC
InChI
InChI=1S/C13H17N3O2/c1-3-4-5-9-6-7-10-11(8-9)15-12(14-10)16-13(17)18-2/h6-8H,3-5H2,1-2H3,(H2,14,15,16,17)
InChIKey
YRWLZFXJFBZBEY-UHFFFAOYSA-N
Compound name
methyl N-(6-butyl-1H-benzimidazol-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

56
References

4959
Patents

247.13208 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.139356 156.3
[M+Na]+ 270.121298 164.9
[M-H]- 246.124804 157.4
[M+NH4]+ 265.165903 173.3
[M+K]+ 286.095238 161.0
[M+H-H2O]+ 230.129340 148.7
[M+HCOO]- 292.130281 178.2
[M+CH3COO]- 306.145931 193.2
[M+Na-2H]- 268.106746 161.4
[M]+ 247.13153142 159.2
[M]- 247.13262858 159.2
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