CID 9567742

Bdbm5054

Structural Information

Molecular Formula
C14H13Cl2N3O2S2
SMILES
CC(C)C1=C(N(/C(=N/S(=O)(=O)C2=C(C=CC(=C2)Cl)C#N)/S1)C)Cl
InChI
InChI=1S/C14H13Cl2N3O2S2/c1-8(2)12-13(16)19(3)14(22-12)18-23(20,21)11-6-10(15)5-4-9(11)7-17/h4-6,8H,1-3H3/b18-14-
InChIKey
LBZKUQGEFHMRLY-JXAWBTAJSA-N
Compound name
(NZ)-5-chloro-N-(4-chloro-3-methyl-5-propan-2-yl-1,3-thiazol-2-ylidene)-2-cyanobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

388.98264 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.98992 198.7
[M+Na]+ 411.97186 212.2
[M-H]- 387.97536 205.9
[M+NH4]+ 407.01646 212.5
[M+K]+ 427.94580 205.3
[M+H-H2O]+ 371.97990 187.2
[M+HCOO]- 433.98084 200.6
[M+CH3COO]- 447.99649 225.1
[M+Na-2H]- 409.95731 195.1
[M]+ 388.98209 201.3
[M]- 388.98319 201.3
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

No patent data available for this compound.