CID 44153469

71701-28-5

Structural Information

Molecular Formula
C21H20N4O4S
SMILES
CCOC1=CC=C(C=C1)N=NC2=C(C=C(C=C2)N=NC3=CC(=CC=C3)S(=O)(=O)O)C
InChI
InChI=1S/C21H20N4O4S/c1-3-29-19-10-7-16(8-11-19)22-25-21-12-9-18(13-15(21)2)24-23-17-5-4-6-20(14-17)30(26,27)28/h4-14H,3H2,1-2H3,(H,26,27,28)
InChIKey
GEEXBGRHYYZHOY-UHFFFAOYSA-N
Compound name
3-[[4-[(4-ethoxyphenyl)diazenyl]-3-methylphenyl]diazenyl]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.1205 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.12778 199.4
[M+Na]+ 447.10972 211.9
[M+NH4]+ 442.15432 205.5
[M+K]+ 463.08366 202.5
[M-H]- 423.11322 207.2
[M+Na-2H]- 445.09517 210.3
[M]+ 424.11995 203.8
[M]- 424.12105 203.8
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.