CID 365190

Nsc632483

Structural Information

Molecular Formula
C34H26N4O10S2
SMILES
COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=C(C=C4C=CC(=CC4=C3)S(=O)(=O)O)O)OC)N=NC5=C(C=C6C=CC(=CC6=C5)S(=O)(=O)O)O
InChI
InChI=1S/C34H26N4O10S2/c1-47-33-17-21(5-9-27(33)35-37-29-13-23-11-25(49(41,42)43)7-3-19(23)15-31(29)39)22-6-10-28(34(18-22)48-2)36-38-30-14-24-12-26(50(44,45)46)8-4-20(24)16-32(30)40/h3-18,39-40H,1-2H3,(H,41,42,43)(H,44,45,46)
InChIKey
LSGDCWASGMZQQE-UHFFFAOYSA-N
Compound name
6-hydroxy-7-[[4-[4-[(3-hydroxy-7-sulfonaphthalen-2-yl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]naphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

714.109 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 715.11628 257.6
[M+Na]+ 737.09822 261.6
[M-H]- 713.10172 269.4
[M+NH4]+ 732.14282 254.9
[M+K]+ 753.07216 260.0
[M+H-H2O]+ 697.10626 244.4
[M+HCOO]- 759.10720 269.6
[M+CH3COO]- 773.12285 285.4
[M+Na-2H]- 735.08367 283.5
[M]+ 714.10845 267.8
[M]- 714.10955 267.8
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.