CID 13912412

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

Structural Information

Molecular Formula
C11H10ClN3O2S
SMILES
COC1=CC=C(C=C1)NC(=O)C2=NN=C(S2)CCl
InChI
InChI=1S/C11H10ClN3O2S/c1-17-8-4-2-7(3-5-8)13-10(16)11-15-14-9(6-12)18-11/h2-5H,6H2,1H3,(H,13,16)
InChIKey
RPCZBDYLOGCODX-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.01822 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.02550 160.2
[M+Na]+ 306.00744 172.7
[M+NH4]+ 301.05204 167.8
[M+K]+ 321.98138 166.1
[M-H]- 282.01094 162.9
[M+Na-2H]- 303.99289 166.9
[M]+ 283.01767 163.3
[M]- 283.01877 163.3
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.