CID 9567732

Bdbm5041

Structural Information

Molecular Formula
C15H19ClN2O3S2
SMILES
CC1=C(S/C(=N\S(=O)(=O)C2=C(C=CC(=C2)Cl)O)/N1C)C(C)(C)C
InChI
InChI=1S/C15H19ClN2O3S2/c1-9-13(15(2,3)4)22-14(18(9)5)17-23(20,21)12-8-10(16)6-7-11(12)19/h6-8,19H,1-5H3/b17-14-
InChIKey
LLJAXJFZIUWVSL-VKAVYKQESA-N
Compound name
(NZ)-N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)-5-chloro-2-hydroxybenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

374.05255 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.05983 185.9
[M+Na]+ 397.04177 197.0
[M-H]- 373.04527 192.7
[M+NH4]+ 392.08637 200.9
[M+K]+ 413.01571 190.3
[M+H-H2O]+ 357.04981 180.7
[M+HCOO]- 419.05075 193.1
[M+CH3COO]- 433.06640 213.3
[M+Na-2H]- 395.02722 185.4
[M]+ 374.05200 193.6
[M]- 374.05310 193.6
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.