CID 9567689

Bdbm5112

Structural Information

Molecular Formula
C14H17N3O4S2
SMILES
CC1=C(S/C(=N\S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])/N1C)C(C)C
InChI
InChI=1S/C14H17N3O4S2/c1-9(2)13-10(3)16(4)14(22-13)15-23(20,21)12-7-5-6-11(8-12)17(18)19/h5-9H,1-4H3/b15-14-
InChIKey
BUKUBFLNNJJJAO-PFONDFGASA-N
Compound name
(NZ)-N-(3,4-dimethyl-5-propan-2-yl-1,3-thiazol-2-ylidene)-3-nitrobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

355.06604 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.07332 179.4
[M+Na]+ 378.05526 187.0
[M-H]- 354.05876 186.7
[M+NH4]+ 373.09986 192.9
[M+K]+ 394.02920 178.0
[M+H-H2O]+ 338.06330 176.4
[M+HCOO]- 400.06424 193.8
[M+CH3COO]- 414.07989 207.7
[M+Na-2H]- 376.04071 181.4
[M]+ 355.06549 182.1
[M]- 355.06659 182.1
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.