CID 33309

Cambendazole

Structural Information

Molecular Formula
C14H14N4O2S
SMILES
CC(C)OC(=O)NC1=CC2=C(C=C1)N=C(N2)C3=CSC=N3
InChI
InChI=1S/C14H14N4O2S/c1-8(2)20-14(19)16-9-3-4-10-11(5-9)18-13(17-10)12-6-21-7-15-12/h3-8H,1-2H3,(H,16,19)(H,17,18)
InChIKey
QZWHWHNCPFEXLL-UHFFFAOYSA-N
Compound name
propan-2-yl N-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

113
References

6484
Patents

302.08374 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.09102 167.2
[M+Na]+ 325.07296 176.9
[M-H]- 301.07646 171.5
[M+NH4]+ 320.11756 182.9
[M+K]+ 341.04690 172.7
[M+H-H2O]+ 285.08100 159.9
[M+HCOO]- 347.08194 184.0
[M+CH3COO]- 361.09759 178.7
[M+Na-2H]- 323.05841 167.9
[M]+ 302.08319 171.6
[M]- 302.08429 171.6
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

patents stripe