CID 56843426

86242-90-2

Structural Information

Molecular Formula
C18H20N4O6S
SMILES
CC1=CC=CC=C1NC(=O)C(C(C)O)N=NC2=C(C=CC(=C2)S(=O)(=O)N)C(=O)O
InChI
InChI=1S/C18H20N4O6S/c1-10-5-3-4-6-14(10)20-17(24)16(11(2)23)22-21-15-9-12(29(19,27)28)7-8-13(15)18(25)26/h3-9,11,16,23H,1-2H3,(H,20,24)(H,25,26)(H2,19,27,28)
InChIKey
MMXXVXJNMIZKTQ-UHFFFAOYSA-N
Compound name
2-[[3-hydroxy-1-(2-methylanilino)-1-oxobutan-2-yl]diazenyl]-4-sulfamoylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.11035 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.11763 192.8
[M+Na]+ 443.09957 198.0
[M+NH4]+ 438.14417 194.9
[M+K]+ 459.07351 195.5
[M-H]- 419.10307 193.8
[M+Na-2H]- 441.08502 196.4
[M]+ 420.10980 193.5
[M]- 420.11090 193.5
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.