CID 9555855

Nsc643503

Structural Information

Molecular Formula
C21H17N3O4S
SMILES
C/C(=N\NS(=O)(=O)C1=CC2=CC=CC=C2C=C1)/CN3C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C21H17N3O4S/c1-14(13-24-20(25)18-8-4-5-9-19(18)21(24)26)22-23-29(27,28)17-11-10-15-6-2-3-7-16(15)12-17/h2-12,23H,13H2,1H3/b22-14+
InChIKey
NMRIBZHTESWTLA-HYARGMPZSA-N
Compound name
N-[(E)-1-(1,3-dioxoisoindol-2-yl)propan-2-ylideneamino]naphthalene-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.09396 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.10124 193.9
[M+Na]+ 430.08318 202.0
[M-H]- 406.08668 202.4
[M+NH4]+ 425.12778 207.2
[M+K]+ 446.05712 196.7
[M+H-H2O]+ 390.09122 185.8
[M+HCOO]- 452.09216 210.8
[M+CH3COO]- 466.10781 227.4
[M+Na-2H]- 428.06863 198.2
[M]+ 407.09341 198.3
[M]- 407.09451 198.3
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.