CID 44151773

18048-61-8

Structural Information

Molecular Formula
C18H19N3O7S2
SMILES
CC(=O)C(C(=O)NC1=C(C=CC(=C1)OC)OC)N=NC2=CC=C(C=C2)SS(=O)(=O)O
InChI
InChI=1S/C18H19N3O7S2/c1-11(22)17(18(23)19-15-10-13(27-2)6-9-16(15)28-3)21-20-12-4-7-14(8-5-12)29-30(24,25)26/h4-10,17H,1-3H3,(H,19,23)(H,24,25,26)
InChIKey
LKCNLIQFCVXJFF-UHFFFAOYSA-N
Compound name
1,4-dimethoxy-2-[[3-oxo-2-[(4-sulfosulfanylphenyl)diazenyl]butanoyl]amino]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

453.06644 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.07372 198.7
[M+Na]+ 476.05566 205.0
[M+NH4]+ 471.10026 201.6
[M+K]+ 492.02960 199.5
[M-H]- 452.05916 199.9
[M+Na-2H]- 474.04111 203.1
[M]+ 453.06589 200.3
[M]- 453.06699 200.3
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.