CID 9567725

Bdbm5033

Structural Information

Molecular Formula
C16H22N2O3S2
SMILES
CC1=C(S/C(=N\S(=O)(=O)C2=CC=CC(=C2)OC)/N1C)C(C)(C)C
InChI
InChI=1S/C16H22N2O3S2/c1-11-14(16(2,3)4)22-15(18(11)5)17-23(19,20)13-9-7-8-12(10-13)21-6/h7-10H,1-6H3/b17-15-
InChIKey
OFMGTGOWXRBPJQ-ICFOKQHNSA-N
Compound name
(NZ)-N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)-3-methoxybenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

354.10718 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.11446 183.7
[M+Na]+ 377.09640 193.8
[M-H]- 353.09990 191.3
[M+NH4]+ 372.14100 199.1
[M+K]+ 393.07034 188.9
[M+H-H2O]+ 337.10444 177.0
[M+HCOO]- 399.10538 196.7
[M+CH3COO]- 413.12103 213.8
[M+Na-2H]- 375.08185 184.0
[M]+ 354.10663 191.4
[M]- 354.10773 191.4
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.