CID 89535

21811-92-7

Structural Information

Molecular Formula
C16H16N4O5S
SMILES
CC(=O)C(C(=O)NC1=CC=CC=C1)N=NC2=C(C=CC(=C2)S(=O)(=O)N)O
InChI
InChI=1S/C16H16N4O5S/c1-10(21)15(16(23)18-11-5-3-2-4-6-11)20-19-13-9-12(26(17,24)25)7-8-14(13)22/h2-9,15,22H,1H3,(H,18,23)(H2,17,24,25)
InChIKey
WSXBCVNSUMXNCM-UHFFFAOYSA-N
Compound name
2-[(2-hydroxy-5-sulfamoylphenyl)diazenyl]-3-oxo-N-phenylbutanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

376.08414 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.09142 183.4
[M+Na]+ 399.07336 187.5
[M-H]- 375.07686 190.5
[M+NH4]+ 394.11796 193.8
[M+K]+ 415.04730 185.1
[M+H-H2O]+ 359.08140 174.1
[M+HCOO]- 421.08234 203.6
[M+CH3COO]- 435.09799 225.1
[M+Na-2H]- 397.05881 186.3
[M]+ 376.08359 184.8
[M]- 376.08469 184.8
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

patents stripe