CID 3086015

75113-53-0

Structural Information

Molecular Formula
C16H13N5O4S2
SMILES
CC1=C(C=CC(=C1)NS(=O)(=O)C2=CC=CC=C2)N=NC3=NC=C(S3)[N+](=O)[O-]
InChI
InChI=1S/C16H13N5O4S2/c1-11-9-12(20-27(24,25)13-5-3-2-4-6-13)7-8-14(11)18-19-16-17-10-15(26-16)21(22)23/h2-10,20H,1H3
InChIKey
XGOHITKXVDKDMA-UHFFFAOYSA-N
Compound name
N-[3-methyl-4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]phenyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.0409 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.04818 182.6
[M+Na]+ 426.03012 193.6
[M+NH4]+ 421.07472 188.9
[M+K]+ 442.00406 188.7
[M-H]- 402.03362 189.6
[M+Na-2H]- 424.01557 191.9
[M]+ 403.04035 186.7
[M]- 403.04145 186.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.