CID 50923806

1261289-04-6

Structural Information

Molecular Formula
C16H11Cl2N3O2S
SMILES
C1=CC(=CC=C1CN2C(=O)N=C(S2)NC(=O)C3=CC=C(C=C3)Cl)Cl
InChI
InChI=1S/C16H11Cl2N3O2S/c17-12-5-1-10(2-6-12)9-21-16(23)20-15(24-21)19-14(22)11-3-7-13(18)8-4-11/h1-8H,9H2,(H,19,20,22,23)
InChIKey
WEDWLYRQKUTOAX-UHFFFAOYSA-N
Compound name
4-chloro-N-[2-[(4-chlorophenyl)methyl]-3-oxo-1,2,4-thiadiazol-5-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

378.9949 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.00218 182.5
[M+Na]+ 401.98412 193.6
[M-H]- 377.98762 190.3
[M+NH4]+ 397.02872 195.3
[M+K]+ 417.95806 185.8
[M+H-H2O]+ 361.99216 174.7
[M+HCOO]- 423.99310 191.7
[M+CH3COO]- 438.00875 193.2
[M+Na-2H]- 399.96957 181.9
[M]+ 378.99435 188.7
[M]- 378.99545 188.7
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