CID 9555859

Nsc643507

Structural Information

Molecular Formula
C19H18N4O5S
SMILES
C/C(=N\NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C)/CN2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C19H18N4O5S/c1-12(11-23-18(25)16-5-3-4-6-17(16)19(23)26)21-22-29(27,28)15-9-7-14(8-10-15)20-13(2)24/h3-10,22H,11H2,1-2H3,(H,20,24)/b21-12+
InChIKey
YHPNVCYNJVSXGT-CIAFOILYSA-N
Compound name
N-[4-[[(E)-1-(1,3-dioxoisoindol-2-yl)propan-2-ylideneamino]sulfamoyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.0998 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.10708 194.3
[M+Na]+ 437.08902 200.6
[M-H]- 413.09252 202.1
[M+NH4]+ 432.13362 206.0
[M+K]+ 453.06296 196.8
[M+H-H2O]+ 397.09706 186.3
[M+HCOO]- 459.09800 212.5
[M+CH3COO]- 473.11365 230.6
[M+Na-2H]- 435.07447 196.8
[M]+ 414.09925 198.5
[M]- 414.10035 198.5
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.