CID 57354085

2,7-naphthalenedisulfonic acid, 3,3'-[azoxybis[(2-methoxy-4,1-phenylene)azo]]bis[4,5-dihydroxy-, lithium salt

Structural Information

Molecular Formula
C34H26N6O19S4
SMILES
COC1=CC(=NN(C2=CC(=C(C=C2)NN=C3C(=CC4=C(C3=O)C(=CC(=C4)S(=O)(=O)O)O)S(=O)(=O)O)OC)O)C=CC1=NN=C5C(=CC6=C(C5=O)C(=CC(=C6)S(=O)(=O)O)O)S(=O)(=O)O
InChI
InChI=1S/C34H26N6O19S4/c1-58-25-11-17(3-5-21(25)35-37-31-27(62(52,53)54)9-15-7-19(60(46,47)48)13-23(41)29(15)33(31)43)39-40(45)18-4-6-22(26(12-18)59-2)36-38-32-28(63(55,56)57)10-16-8-20(61(49,50)51)14-24(42)30(16)34(32)44/h3-14,36,41-42,45H,1-2H3,(H,46,47,48)(H,49,50,51)(H,52,53,54)(H,55,56,57)
InChIKey
BSFWREXWJUBAKL-UHFFFAOYSA-N
Compound name
5-hydroxy-3-[[4-[hydroxy-[[4-[(8-hydroxy-1-oxo-3,6-disulfonaphthalen-2-ylidene)hydrazinylidene]-3-methoxycyclohexa-2,5-dien-1-ylidene]amino]amino]-2-methoxyphenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

950.01355 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 951.02083 262.6
[M+Na]+ 973.00277 269.9
[M+NH4]+ 968.04737 268.0
[M+K]+ 988.97671 268.6
[M-H]- 949.00627 262.8
[M+Na-2H]- 970.98822 292.3
[M]+ 950.01300 266.5
[M]- 950.01410 266.5
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.