CID 71750427

4-methyl mebendazole

Structural Information

Molecular Formula
C17H15N3O3
SMILES
CC1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)N=C(N3)NC(=O)OC
InChI
InChI=1S/C17H15N3O3/c1-10-3-5-11(6-4-10)15(21)12-7-8-13-14(9-12)19-16(18-13)20-17(22)23-2/h3-9H,1-2H3,(H2,18,19,20,22)
InChIKey
PRYHZIFGXMQOGE-UHFFFAOYSA-N
Compound name
methyl N-[6-(4-methylbenzoyl)-1H-benzimidazol-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

309.11133 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.11861 170.9
[M+Na]+ 332.10055 183.8
[M+NH4]+ 327.14515 177.0
[M+K]+ 348.07449 179.9
[M-H]- 308.10405 173.2
[M+Na-2H]- 330.08600 177.4
[M]+ 309.11078 173.1
[M]- 309.11188 173.1
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

patents stripe