CID 9555862

Nsc643511

Structural Information

Molecular Formula
C19H19N3O6S
SMILES
C/C(=N\NS(=O)(=O)C1=CC(=C(C=C1)OC)OC)/CN2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C19H19N3O6S/c1-12(11-22-18(23)14-6-4-5-7-15(14)19(22)24)20-21-29(25,26)13-8-9-16(27-2)17(10-13)28-3/h4-10,21H,11H2,1-3H3/b20-12+
InChIKey
RSTPSKDABVLYGH-UDWIEESQSA-N
Compound name
N-[(E)-1-(1,3-dioxoisoindol-2-yl)propan-2-ylideneamino]-3,4-dimethoxybenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

417.09946 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.10674 194.9
[M+Na]+ 440.08868 202.7
[M-H]- 416.09218 203.0
[M+NH4]+ 435.13328 207.1
[M+K]+ 456.06262 199.5
[M+H-H2O]+ 400.09672 187.0
[M+HCOO]- 462.09766 213.1
[M+CH3COO]- 476.11331 229.3
[M+Na-2H]- 438.07413 197.1
[M]+ 417.09891 202.9
[M]- 417.10001 202.9
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.