CID 136076007

71317-11-8

Structural Information

Molecular Formula
C20H18N4O5S
SMILES
CC1=CC(=C(C=C1N=NC2=CC(=CC=C2)S(=O)(=O)O)OC)N=NC3=CC=C(C=C3)O
InChI
InChI=1S/C20H18N4O5S/c1-13-10-19(24-21-14-6-8-16(25)9-7-14)20(29-2)12-18(13)23-22-15-4-3-5-17(11-15)30(26,27)28/h3-12,25H,1-2H3,(H,26,27,28)
InChIKey
CMBILDMBCNKUJO-UHFFFAOYSA-N
Compound name
3-[[4-[(4-hydroxyphenyl)diazenyl]-5-methoxy-2-methylphenyl]diazenyl]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.0998 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.10708 198.6
[M+Na]+ 449.08902 210.5
[M+NH4]+ 444.13362 203.9
[M+K]+ 465.06296 202.4
[M-H]- 425.09252 205.4
[M+Na-2H]- 447.07447 208.4
[M]+ 426.09925 202.5
[M]- 426.10035 202.5
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.