CID 136072284

71750-85-1

Structural Information

Molecular Formula
C18H28N4O5S
SMILES
CCCCC(CC)CNC(=O)C(C(=O)C)N=NC1=C(C=CC(=C1)S(=O)(=O)N)O
InChI
InChI=1S/C18H28N4O5S/c1-4-6-7-13(5-2)11-20-18(25)17(12(3)23)22-21-15-10-14(28(19,26)27)8-9-16(15)24/h8-10,13,17,24H,4-7,11H2,1-3H3,(H,20,25)(H2,19,26,27)
InChIKey
PPKJFVHIRRURML-UHFFFAOYSA-N
Compound name
N-(2-ethylhexyl)-2-[(2-hydroxy-5-sulfamoylphenyl)diazenyl]-3-oxobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.17804 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.18532 196.3
[M+Na]+ 435.16726 199.3
[M+NH4]+ 430.21186 198.1
[M+K]+ 451.14120 196.1
[M-H]- 411.17076 195.2
[M+Na-2H]- 433.15271 196.7
[M]+ 412.17749 196.0
[M]- 412.17859 196.0
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.