CID 110210

68413-54-7

Structural Information

Molecular Formula
C23H17Cl2N3O6S
SMILES
COC1=CC=C(C=C1)NC2=CC3=CC(=C(C(=C3C=C2)O)N=NC4=C(C(=CC(=C4)Cl)Cl)O)S(=O)(=O)O
InChI
InChI=1S/C23H17Cl2N3O6S/c1-34-16-5-2-14(3-6-16)26-15-4-7-17-12(8-15)9-20(35(31,32)33)21(22(17)29)28-27-19-11-13(24)10-18(25)23(19)30/h2-11,26,29-30H,1H3,(H,31,32,33)
InChIKey
QZDDLDRUAKVKDP-UHFFFAOYSA-N
Compound name
3-[(3,5-dichloro-2-hydroxyphenyl)diazenyl]-4-hydroxy-7-(4-methoxyanilino)naphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

533.0215 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 534.02878 216.5
[M+Na]+ 556.01072 225.8
[M-H]- 532.01422 226.3
[M+NH4]+ 551.05532 223.7
[M+K]+ 571.98466 220.2
[M+H-H2O]+ 516.01876 209.0
[M+HCOO]- 578.01970 225.7
[M+CH3COO]- 592.03535 247.3
[M+Na-2H]- 553.99617 221.0
[M]+ 533.02095 226.4
[M]- 533.02205 226.4
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.