CID 9555861

Nsc643509

Structural Information

Molecular Formula
C18H15N3O6S
SMILES
C/C(=N\NS(=O)(=O)C1=CC=CC(=C1)C(=O)O)/CN2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C18H15N3O6S/c1-11(10-21-16(22)14-7-2-3-8-15(14)17(21)23)19-20-28(26,27)13-6-4-5-12(9-13)18(24)25/h2-9,20H,10H2,1H3,(H,24,25)/b19-11+
InChIKey
SARVTTPZBNPTSE-YBFXNURJSA-N
Compound name
3-[[(E)-1-(1,3-dioxoisoindol-2-yl)propan-2-ylideneamino]sulfamoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.06815 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.07543 189.2
[M+Na]+ 424.05737 196.0
[M-H]- 400.06087 195.8
[M+NH4]+ 419.10197 200.9
[M+K]+ 440.03131 192.3
[M+H-H2O]+ 384.06541 181.9
[M+HCOO]- 446.06635 205.4
[M+CH3COO]- 460.08200 223.1
[M+Na-2H]- 422.04282 191.3
[M]+ 401.06760 193.4
[M]- 401.06870 193.5
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.