CID 9567734

Bdbm5043

Structural Information

Molecular Formula
C17H22ClN3O3S2
SMILES
CC1=C(S/C(=N\S(=O)(=O)C2=C(C=CC(=C2)Cl)NC(=O)C)/N1C)C(C)(C)C
InChI
InChI=1S/C17H22ClN3O3S2/c1-10-15(17(3,4)5)25-16(21(10)6)20-26(23,24)14-9-12(18)7-8-13(14)19-11(2)22/h7-9H,1-6H3,(H,19,22)/b20-16-
InChIKey
BPDNNSRGEJFONA-SILNSSARSA-N
Compound name
N-[2-[(Z)-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)amino]sulfonyl-4-chlorophenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

415.0791 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.08638 198.0
[M+Na]+ 438.06832 207.5
[M-H]- 414.07182 205.7
[M+NH4]+ 433.11292 211.4
[M+K]+ 454.04226 201.0
[M+H-H2O]+ 398.07636 191.9
[M+HCOO]- 460.07730 205.9
[M+CH3COO]- 474.09295 225.7
[M+Na-2H]- 436.05377 197.0
[M]+ 415.07855 206.0
[M]- 415.07965 206.0
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.