CID 13912411

5-(chloromethyl)-n-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide

Structural Information

Molecular Formula
C11H10ClN3OS
SMILES
CC1=CC=C(C=C1)NC(=O)C2=NN=C(S2)CCl
InChI
InChI=1S/C11H10ClN3OS/c1-7-2-4-8(5-3-7)13-10(16)11-15-14-9(6-12)17-11/h2-5H,6H2,1H3,(H,13,16)
InChIKey
ILVZAUZSRSHHSM-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.02332 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.03060 157.2
[M+Na]+ 290.01254 170.2
[M+NH4]+ 285.05714 165.4
[M+K]+ 305.98648 163.0
[M-H]- 266.01604 160.3
[M+Na-2H]- 287.99799 164.3
[M]+ 267.02277 160.6
[M]- 267.02387 160.6
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.