CID 166276

72269-59-1

Structural Information

Molecular Formula
C26H22N4O7S
SMILES
CC(=O)NC1=CC(=C(C=C1)S(=O)(=O)O)N=NC2=C(C(=CC3=CC=CC=C32)C(=O)NC4=CC=CC=C4OC)O
InChI
InChI=1S/C26H22N4O7S/c1-15(31)27-17-11-12-23(38(34,35)36)21(14-17)29-30-24-18-8-4-3-7-16(18)13-19(25(24)32)26(33)28-20-9-5-6-10-22(20)37-2/h3-14,32H,1-2H3,(H,27,31)(H,28,33)(H,34,35,36)
InChIKey
DWKAYXRRWIROLY-UHFFFAOYSA-N
Compound name
4-acetamido-2-[[2-hydroxy-3-[(2-methoxyphenyl)carbamoyl]naphthalen-1-yl]diazenyl]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

534.1209 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 535.12818 221.0
[M+Na]+ 557.11012 225.1
[M-H]- 533.11362 230.9
[M+NH4]+ 552.15472 225.3
[M+K]+ 573.08406 222.3
[M+H-H2O]+ 517.11816 209.9
[M+HCOO]- 579.11910 238.9
[M+CH3COO]- 593.13475 255.7
[M+Na-2H]- 555.09557 226.1
[M]+ 534.12035 226.1
[M]- 534.12145 226.1
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.