CID 175237

72894-23-6

Structural Information

Molecular Formula
C22H16N6O11S2
SMILES
C1=CC(=C(C=C1NN=C2C(=O)C=CC(=NNC3=C4C(=CC(=C3)S(=O)(=O)O)C=C(C=C4O)S(=O)(=O)O)C2=O)N)[N+](=O)[O-]
InChI
InChI=1S/C22H16N6O11S2/c23-14-7-11(1-3-17(14)28(32)33)24-27-21-18(29)4-2-15(22(21)31)25-26-16-8-12(40(34,35)36)5-10-6-13(41(37,38)39)9-19(30)20(10)16/h1-9,24,26,30H,23H2,(H,34,35,36)(H,37,38,39)
InChIKey
FUYNQFJAGVGFNR-UHFFFAOYSA-N
Compound name
4-[2-[5-[(3-amino-4-nitrophenyl)hydrazinylidene]-4,6-dioxocyclohex-2-en-1-ylidene]hydrazinyl]-5-hydroxynaphthalene-2,7-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

604.03186 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 605.03914 215.7
[M+Na]+ 627.02108 221.2
[M+NH4]+ 622.06568 219.8
[M+K]+ 642.99502 218.9
[M-H]- 603.02458 213.2
[M+Na-2H]- 625.00653 240.8
[M]+ 604.03131 217.7
[M]- 604.03241 217.7
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.