CID 9568095

T2uh5u77ve

Structural Information

Molecular Formula
C17H13N3O4S
SMILES
C1=CC=C2C(=C1)C=CC=C2/C=N/NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C17H13N3O4S/c21-20(22)15-8-10-16(11-9-15)25(23,24)19-18-12-14-6-3-5-13-4-1-2-7-17(13)14/h1-12,19H/b18-12+
InChIKey
DFHXBZFYJLGTFU-LDADJPATSA-N
Compound name
N-[(E)-naphthalen-1-ylmethylideneamino]-4-nitrobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

355.06268 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.06996 175.5
[M+Na]+ 378.05190 181.0
[M-H]- 354.05540 183.9
[M+NH4]+ 373.09650 188.0
[M+K]+ 394.02584 172.0
[M+H-H2O]+ 338.05994 170.9
[M+HCOO]- 400.06088 196.9
[M+CH3COO]- 414.07653 209.7
[M+Na-2H]- 376.03735 185.9
[M]+ 355.06213 175.8
[M]- 355.06323 175.8
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.