CID 110175

68400-38-4

Structural Information

Molecular Formula
C22H17N5O9S3
SMILES
C1=CC(=CC=C1N)N=NC2=CC=C(C=C2)N=NC3=CC4=C(C=C(C=C4S(=O)(=O)O)S(=O)(=O)O)C(=C3)S(=O)(=O)O
InChI
InChI=1S/C22H17N5O9S3/c23-13-1-3-14(4-2-13)24-25-15-5-7-16(8-6-15)26-27-17-9-19-20(21(10-17)38(31,32)33)11-18(37(28,29)30)12-22(19)39(34,35)36/h1-12H,23H2,(H,28,29,30)(H,31,32,33)(H,34,35,36)
InChIKey
JZFJUGNYYZUIDJ-UHFFFAOYSA-N
Compound name
7-[[4-[(4-aminophenyl)diazenyl]phenyl]diazenyl]naphthalene-1,3,5-trisulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

591.01886 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 592.02614 221.5
[M+Na]+ 614.00808 228.2
[M+NH4]+ 609.05268 223.1
[M+K]+ 629.98202 221.7
[M-H]- 590.01158 224.6
[M+Na-2H]- 611.99353 229.3
[M]+ 591.01831 224.2
[M]- 591.01941 224.2
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

patents stripe