CID 43242

5-hydroxymebendazole

Structural Information

Molecular Formula
C16H15N3O3
SMILES
COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(C3=CC=CC=C3)O
InChI
InChI=1S/C16H15N3O3/c1-22-16(21)19-15-17-12-8-7-11(9-13(12)18-15)14(20)10-5-3-2-4-6-10/h2-9,14,20H,1H3,(H2,17,18,19,21)
InChIKey
IIQKUGXEGMZCLE-UHFFFAOYSA-N
Compound name
methyl N-[6-[hydroxy(phenyl)methyl]-1H-benzimidazol-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

8
References

31
Patents

297.11133 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.11861 167.5
[M+Na]+ 320.10055 179.7
[M+NH4]+ 315.14515 173.7
[M+K]+ 336.07449 176.2
[M-H]- 296.10405 169.5
[M+Na-2H]- 318.08600 174.0
[M]+ 297.11078 169.5
[M]- 297.11188 169.5
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