CID 5778323

Zaombauenfurgo-owolpyoxsa-k

Structural Information

Molecular Formula
C32H24N6O11S3
SMILES
C1=CC(=CC=C1C2=CC=C(C=C2)N/N=C/3\C(=CC4=C(C3=O)C(=CC(=C4)S(=O)(=O)O)N)S(=O)(=O)O)N/N=C/5\C(=CC6=C(C5=O)C=C(C=C6)N)S(=O)(=O)O
InChI
InChI=1S/C32H24N6O11S3/c33-20-6-1-18-12-26(51(44,45)46)29(31(39)24(18)14-20)37-35-21-7-2-16(3-8-21)17-4-9-22(10-5-17)36-38-30-27(52(47,48)49)13-19-11-23(50(41,42)43)15-25(34)28(19)32(30)40/h1-15,35-36H,33-34H2,(H,41,42,43)(H,44,45,46)(H,47,48,49)/b37-29+,38-30+
InChIKey
LISPIUVGAOUCLH-UDEUAJILSA-N
Compound name
(3Z)-5-amino-3-[[4-[4-[(2Z)-2-(7-amino-1-oxo-3-sulfonaphthalen-2-ylidene)hydrazinyl]phenyl]phenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

764.0665 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 765.073776 264.6
[M+Na]+ 787.055718 277.0
[M-H]- 763.059224 267.3
[M+NH4]+ 782.100323 271.0
[M+K]+ 803.029658 267.2
[M+H-H2O]+ 747.063760 250.3
[M+HCOO]- 809.064701 271.9
[M+CH3COO]- 823.080351 274.7
[M+Na-2H]- 785.041166 290.4
[M]+ 764.06595142 304.3
[M]- 764.06704858 304.3
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.