CID 135407789

73360-59-5

Structural Information

Molecular Formula
C22H18N4O14P2S2
SMILES
C1=CC=C(C(=C1)N=NC2=C(C3=C(C(=C(C=C3C=C2S(=O)(=O)O)S(=O)(=O)O)N=NC4=CC=CC=C4P(=O)(O)O)O)O)P(=O)(O)O
InChI
InChI=1S/C22H18N4O14P2S2/c27-21-18-11(9-16(43(35,36)37)19(21)25-23-12-5-1-3-7-14(12)41(29,30)31)10-17(44(38,39)40)20(22(18)28)26-24-13-6-2-4-8-15(13)42(32,33)34/h1-10,27-28H,(H2,29,30,31)(H2,32,33,34)(H,35,36,37)(H,38,39,40)
InChIKey
HGDCRCXUJJTDGI-UHFFFAOYSA-N
Compound name
4,5-dihydroxy-3,6-bis[(2-phosphonophenyl)diazenyl]naphthalene-2,7-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

687.97363 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 688.98091 228.1
[M+Na]+ 710.96285 234.1
[M+NH4]+ 706.00745 231.4
[M+K]+ 726.93679 231.9
[M-H]- 686.96635 225.1
[M+Na-2H]- 708.94830 245.7
[M]+ 687.97308 229.4
[M]- 687.97418 229.4
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

patents stripe