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]+ 381.02413 206.0
[M+Na]+ 403.00607 218.0
[M-H]- 379.00957 212.4
[M+NH4]+ 398.05067 215.9
[M+K]+ 418.98001 213.2
[M+H-H2O]+ 363.01411 190.7
[M+HCOO]- 425.01505 208.0
[M+CH3COO]- 439.03070 236.7
[M+Na-2H]- 400.99152 201.4
[M]+ 380.01630 202.7
[M]- 380.01740 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.