CID 9555865

Nsc643514

Structural Information

Molecular Formula
C20H15N3O4S
SMILES
C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)N/N=C/CN3C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C20H15N3O4S/c24-19-17-7-3-4-8-18(17)20(25)23(19)12-11-21-22-28(26,27)16-10-9-14-5-1-2-6-15(14)13-16/h1-11,13,22H,12H2/b21-11+
InChIKey
IKNAUGAOBHHOPK-SRZZPIQSSA-N
Compound name
N-[(E)-2-(1,3-dioxoisoindol-2-yl)ethylideneamino]naphthalene-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.07834 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.08562 189.6
[M+Na]+ 416.06756 198.6
[M-H]- 392.07106 198.3
[M+NH4]+ 411.11216 203.6
[M+K]+ 432.04150 192.8
[M+H-H2O]+ 376.07560 181.5
[M+HCOO]- 438.07654 208.0
[M+CH3COO]- 452.09219 223.6
[M+Na-2H]- 414.05301 195.3
[M]+ 393.07779 194.2
[M]- 393.07889 194.2
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.