CID 9567743

Bdbm5055

Structural Information

Molecular Formula
C15H13ClN4O2S2
SMILES
CC(C)C1=C(N(/C(=N/S(=O)(=O)C2=C(C=CC(=C2)C#N)C#N)/S1)C)Cl
InChI
InChI=1S/C15H13ClN4O2S2/c1-9(2)13-14(16)20(3)15(23-13)19-24(21,22)12-6-10(7-17)4-5-11(12)8-18/h4-6,9H,1-3H3/b19-15-
InChIKey
AAHQTPLPZUWINV-CYVLTUHYSA-N
Compound name
(NZ)-N-(4-chloro-3-methyl-5-propan-2-yl-1,3-thiazol-2-ylidene)-2,5-dicyanobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

380.01685 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.024126 206.0
[M+Na]+ 403.006068 218.0
[M-H]- 379.009574 212.4
[M+NH4]+ 398.050673 215.9
[M+K]+ 418.980008 213.2
[M+H-H2O]+ 363.014110 190.7
[M+HCOO]- 425.015051 208.0
[M+CH3COO]- 439.030701 236.7
[M+Na-2H]- 400.991516 201.4
[M]+ 380.01630142 202.7
[M]- 380.01739858 202.7
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.