CID 9567686

Bdbm5109

Structural Information

Molecular Formula
C11H11N3O4S2
SMILES
CC1=CS/C(=N\S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])/N1C
InChI
InChI=1S/C11H11N3O4S2/c1-8-7-19-11(13(8)2)12-20(17,18)10-5-3-4-9(6-10)14(15)16/h3-7H,1-2H3/b12-11-
InChIKey
GQMJRENIXQIZEV-QXMHVHEDSA-N
Compound name
(NZ)-N-(3,4-dimethyl-1,3-thiazol-2-ylidene)-3-nitrobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

313.0191 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.02638 167.6
[M+Na]+ 336.00832 176.4
[M-H]- 312.01182 175.1
[M+NH4]+ 331.05292 182.7
[M+K]+ 351.98226 167.3
[M+H-H2O]+ 296.01636 164.8
[M+HCOO]- 358.01730 184.1
[M+CH3COO]- 372.03295 197.1
[M+Na-2H]- 333.99377 172.2
[M]+ 313.01855 169.5
[M]- 313.01965 169.5
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.