CID 9568096

Nsc13659

Structural Information

Molecular Formula
C15H14N4O8S
SMILES
COC1=C(C=C(C(=C1)/C=N/NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])OC
InChI
InChI=1S/C15H14N4O8S/c1-26-14-7-10(13(19(22)23)8-15(14)27-2)9-16-17-28(24,25)12-5-3-11(4-6-12)18(20)21/h3-9,17H,1-2H3/b16-9+
InChIKey
TYIVGZBYTKJQGS-CXUHLZMHSA-N
Compound name
N-[(E)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-4-nitrobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.05322 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.06050 187.7
[M+Na]+ 433.04244 190.6
[M-H]- 409.04594 195.1
[M+NH4]+ 428.08704 195.4
[M+K]+ 449.01638 179.8
[M+H-H2O]+ 393.05048 186.3
[M+HCOO]- 455.05142 209.6
[M+CH3COO]- 469.06707 213.8
[M+Na-2H]- 431.02789 197.4
[M]+ 410.05267 188.6
[M]- 410.05377 188.6
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.