CID 21118559

68214-55-1

Structural Information

Molecular Formula
C25H22N4O4S
SMILES
CCOC1=C(C=C(C=C1)N=NC2=CC=C(C3=CC=CC=C32)N=NC4=CC(=CC=C4)S(=O)(=O)O)C
InChI
InChI=1S/C25H22N4O4S/c1-3-33-25-14-11-19(15-17(25)2)27-29-24-13-12-23(21-9-4-5-10-22(21)24)28-26-18-7-6-8-20(16-18)34(30,31)32/h4-16H,3H2,1-2H3,(H,30,31,32)
InChIKey
VNDGYZYOFHQIAD-UHFFFAOYSA-N
Compound name
3-[[4-[(4-ethoxy-3-methylphenyl)diazenyl]naphthalen-1-yl]diazenyl]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

474.13617 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.14345 212.5
[M+Na]+ 497.12539 219.7
[M-H]- 473.12889 226.5
[M+NH4]+ 492.16999 222.0
[M+K]+ 513.09933 215.2
[M+H-H2O]+ 457.13343 200.4
[M+HCOO]- 519.13437 236.7
[M+CH3COO]- 533.15002 249.8
[M+Na-2H]- 495.11084 219.9
[M]+ 474.13562 219.9
[M]- 474.13672 219.9
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.