CID 89536

Einecs 244-591-5

Structural Information

Molecular Formula
C17H18N4O5S
SMILES
CC(=O)C(C(=O)NC1=CC=CC=C1)N=NC2=C(C=CC(=C2)S(=O)(=O)NC)O
InChI
InChI=1S/C17H18N4O5S/c1-11(22)16(17(24)19-12-6-4-3-5-7-12)21-20-14-10-13(8-9-15(14)23)27(25,26)18-2/h3-10,16,18,23H,1-2H3,(H,19,24)
InChIKey
JDADFXDXAQJCDH-UHFFFAOYSA-N
Compound name
2-[[2-hydroxy-5-(methylsulfamoyl)phenyl]diazenyl]-3-oxo-N-phenylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.0998 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.10708 187.4
[M+Na]+ 413.08902 191.1
[M-H]- 389.09252 194.9
[M+NH4]+ 408.13362 197.5
[M+K]+ 429.06296 188.7
[M+H-H2O]+ 373.09706 177.8
[M+HCOO]- 435.09800 207.9
[M+CH3COO]- 449.11365 228.5
[M+Na-2H]- 411.07447 190.9
[M]+ 390.09925 190.1
[M]- 390.10035 190.1
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.