CID 9555864

Nsc643513

Structural Information

Molecular Formula
C17H14ClN3O4S
SMILES
C/C(=N\NS(=O)(=O)C1=CC=C(C=C1)Cl)/CN2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C17H14ClN3O4S/c1-11(19-20-26(24,25)13-8-6-12(18)7-9-13)10-21-16(22)14-4-2-3-5-15(14)17(21)23/h2-9,20H,10H2,1H3/b19-11+
InChIKey
UGYNQLYSUIBXKM-YBFXNURJSA-N
Compound name
4-chloro-N-[(E)-1-(1,3-dioxoisoindol-2-yl)propan-2-ylideneamino]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.03937 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.04665 188.9
[M+Na]+ 414.02859 198.3
[M-H]- 390.03209 197.3
[M+NH4]+ 409.07319 203.3
[M+K]+ 430.00253 192.6
[M+H-H2O]+ 374.03663 182.2
[M+HCOO]- 436.03757 203.0
[M+CH3COO]- 450.05322 221.1
[M+Na-2H]- 412.01404 191.3
[M]+ 391.03882 195.4
[M]- 391.03992 195.4
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.