CID 131841459

Hydroxyalbendazole

Structural Information

Molecular Formula
C12H15N3O3S
SMILES
COC(=O)NC1=NC2=C(N1)C=C(C=C2)SCCCO
InChI
InChI=1S/C12H15N3O3S/c1-18-12(17)15-11-13-9-4-3-8(7-10(9)14-11)19-6-2-5-16/h3-4,7,16H,2,5-6H2,1H3,(H2,13,14,15,17)
InChIKey
BPWSOQXIMDMJHB-UHFFFAOYSA-N
Compound name
methyl N-[6-(3-hydroxypropylsulfanyl)-1H-benzimidazol-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

281.0834 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.09068 162.3
[M+Na]+ 304.07262 172.1
[M+NH4]+ 299.11722 168.3
[M+K]+ 320.04656 167.0
[M-H]- 280.07612 161.8
[M+Na-2H]- 302.05807 165.3
[M]+ 281.08285 163.6
[M]- 281.08395 163.6
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.