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 196.9
[M+Na]+ 435.16726 198.5
[M-H]- 411.17076 199.9
[M+NH4]+ 430.21186 206.3
[M+K]+ 451.14120 196.6
[M+H-H2O]+ 395.17530 187.8
[M+HCOO]- 457.17624 213.8
[M+CH3COO]- 471.19189 235.8
[M+Na-2H]- 433.15271 195.0
[M]+ 412.17749 200.7
[M]- 412.17859 200.7
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.