CID 71750426

1-methyl mebendazole

Structural Information

Molecular Formula
C17H15N3O3
SMILES
CN1C2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)N=C1NC(=O)OC
InChI
InChI=1S/C17H15N3O3/c1-20-14-9-8-12(15(21)11-6-4-3-5-7-11)10-13(14)18-16(20)19-17(22)23-2/h3-10H,1-2H3,(H,18,19,22)
InChIKey
KXXOKPYARUONDX-UHFFFAOYSA-N
Compound name
methyl N-(5-benzoyl-1-methylbenzimidazol-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.11133 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.11861 170.4
[M+Na]+ 332.10055 179.5
[M-H]- 308.10405 176.5
[M+NH4]+ 327.14515 185.0
[M+K]+ 348.07449 175.5
[M+H-H2O]+ 292.10859 161.4
[M+HCOO]- 354.10953 193.1
[M+CH3COO]- 368.12518 207.1
[M+Na-2H]- 330.08600 174.4
[M]+ 309.11078 174.5
[M]- 309.11188 174.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.