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 159.3
[M+Na]+ 306.00744 169.1
[M-H]- 282.01094 164.3
[M+NH4]+ 301.05204 175.6
[M+K]+ 321.98138 164.3
[M+H-H2O]+ 266.01548 152.0
[M+HCOO]- 328.01642 173.8
[M+CH3COO]- 342.03207 196.2
[M+Na-2H]- 303.99289 160.9
[M]+ 283.01767 164.8
[M]- 283.01877 164.8
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.