CID 136086463

72906-17-3

Structural Information

Molecular Formula
C19H15N5O11S2
SMILES
COC1=C(C=C(C=C1)S(=O)(=O)O)N=NC2=C(C=C(C(=C2)N=NC3=C(C=C(C=C3)[N+](=O)[O-])S(=O)(=O)O)O)O
InChI
InChI=1S/C19H15N5O11S2/c1-35-18-5-3-11(36(29,30)31)7-15(18)23-22-14-8-13(16(25)9-17(14)26)21-20-12-4-2-10(24(27)28)6-19(12)37(32,33)34/h2-9,25-26H,1H3,(H,29,30,31)(H,32,33,34)
InChIKey
OEFRMFJUXSZUKP-UHFFFAOYSA-N
Compound name
2-[[2,4-dihydroxy-5-[(2-methoxy-5-sulfophenyl)diazenyl]phenyl]diazenyl]-5-nitrobenzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

553.02094 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 554.02822 211.4
[M+Na]+ 576.01016 218.6
[M+NH4]+ 571.05476 211.8
[M+K]+ 591.98410 217.3
[M-H]- 552.01366 214.4
[M+Na-2H]- 573.99561 217.5
[M]+ 553.02039 213.3
[M]- 553.02149 213.3
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.