CID 135599793

72152-91-1

Structural Information

Molecular Formula
C23H15N6O6S
SMILES
C1=CC(=CC=C1N=NC2=CC(=C(C=C2)O)C(=O)O)N=NC3=C4C=C(C=CC4=C(C=C3)[N+]#N)S(=O)(=O)O
InChI
InChI=1S/C23H14N6O6S/c24-25-20-8-9-21(18-12-16(36(33,34)35)6-7-17(18)20)29-27-14-3-1-13(2-4-14)26-28-15-5-10-22(30)19(11-15)23(31)32/h1-12H,(H2-,26,29,30,31,32,33,34,35)/p+1
InChIKey
OHNDZVRWVYWFQR-UHFFFAOYSA-O
Compound name
4-[[4-[(3-carboxy-4-hydroxyphenyl)diazenyl]phenyl]diazenyl]-6-sulfonaphthalene-1-diazonium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

503.0774 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 504.08468 212.4
[M+Na]+ 526.06662 224.2
[M+NH4]+ 521.11122 214.3
[M+K]+ 542.04056 214.7
[M-H]- 502.07012 213.0
[M+Na-2H]- 524.05207 218.8
[M]+ 503.07685 213.9
[M]- 503.07795 213.9
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.