CID 6509787

Ym-228855

Structural Information

Molecular Formula
C16H16N4O2S2
SMILES
CC1=C(S/C(=N\S(=O)(=O)C2=C(C=CC(=C2)C#N)C#N)/N1C)C(C)C
InChI
InChI=1S/C16H16N4O2S2/c1-10(2)15-11(3)20(4)16(23-15)19-24(21,22)14-7-12(8-17)5-6-13(14)9-18/h5-7,10H,1-4H3/b19-16-
InChIKey
DCWVQZINYPVHTH-MNDPQUGUSA-N
Compound name
(NZ)-2,5-dicyano-N-(3,4-dimethyl-5-propan-2-yl-1,3-thiazol-2-ylidene)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

360.07147 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.07875 204.0
[M+Na]+ 383.06069 215.0
[M-H]- 359.06419 210.0
[M+NH4]+ 378.10529 213.7
[M+K]+ 399.03463 211.2
[M+H-H2O]+ 343.06873 187.8
[M+HCOO]- 405.06967 208.5
[M+CH3COO]- 419.08532 236.4
[M+Na-2H]- 381.04614 199.2
[M]+ 360.07092 199.6
[M]- 360.07202 199.6
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.