CID 9555860

Nsc643508

Structural Information

Molecular Formula
C18H17N3O4S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N/N=C(\C)/CN2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C18H17N3O4S/c1-12-7-9-14(10-8-12)26(24,25)20-19-13(2)11-21-17(22)15-5-3-4-6-16(15)18(21)23/h3-10,20H,11H2,1-2H3/b19-13+
InChIKey
VQZWKGVPSRCUQY-CPNJWEJPSA-N
Compound name
N-[(E)-1-(1,3-dioxoisoindol-2-yl)propan-2-ylideneamino]-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.09396 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.10124 185.5
[M+Na]+ 394.08318 193.8
[M-H]- 370.08668 193.6
[M+NH4]+ 389.12778 199.7
[M+K]+ 410.05712 189.2
[M+H-H2O]+ 354.09122 177.8
[M+HCOO]- 416.09216 203.8
[M+CH3COO]- 430.10781 220.5
[M+Na-2H]- 392.06863 187.9
[M]+ 371.09341 190.0
[M]- 371.09451 190.0
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.