CID 83969

Albendazole oxide

Structural Information

Molecular Formula
C12H15N3O3S
SMILES
CCCS(=O)C1=CC2=C(C=C1)N=C(N2)NC(=O)OC
InChI
InChI=1S/C12H15N3O3S/c1-3-6-19(17)8-4-5-9-10(7-8)14-11(13-9)15-12(16)18-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)
InChIKey
VXTGHWHFYNYFFV-UHFFFAOYSA-N
Compound name
methyl N-(6-propylsulfinyl-1H-benzimidazol-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

324
References

1917
Patents

281.0834 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.09068 162.1
[M+Na]+ 304.07262 172.0
[M+NH4]+ 299.11722 168.0
[M+K]+ 320.04656 167.4
[M-H]- 280.07612 161.6
[M+Na-2H]- 302.05807 165.2
[M]+ 281.08285 163.4
[M]- 281.08395 163.4
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

patents stripe