CID 135853662

70210-23-0

Structural Information

Molecular Formula
C35H26N8O15S3
SMILES
COC1=CC=C(C=C1)N=NC2=C(C(=CC(=C2O)N=NC3=C4C(=CC(=C3)S(=O)(=O)O)C=C(C=C4O)S(=O)(=O)O)N=NC5=CC=C(C=C5)NC6=C(C=C(C=C6)[N+](=O)[O-])S(=O)(=O)O)O
InChI
InChI=1S/C35H26N8O15S3/c1-58-23-9-6-21(7-10-23)38-42-33-34(45)28(40-37-20-4-2-19(3-5-20)36-26-11-8-22(43(47)48)14-31(26)61(55,56)57)17-29(35(33)46)41-39-27-15-24(59(49,50)51)12-18-13-25(60(52,53)54)16-30(44)32(18)27/h2-17,36,44-46H,1H3,(H,49,50,51)(H,52,53,54)(H,55,56,57)
InChIKey
JHPDMGRPIOVRCN-UHFFFAOYSA-N
Compound name
4-[[2,4-dihydroxy-3-[(4-methoxyphenyl)diazenyl]-5-[[4-(4-nitro-2-sulfoanilino)phenyl]diazenyl]phenyl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

894.068 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 895.07528 262.8
[M+Na]+ 917.05722 270.2
[M+NH4]+ 912.10182 268.8
[M+K]+ 933.03116 267.3
[M-H]- 893.06072 263.5
[M+Na-2H]- 915.04267 292.1
[M]+ 894.06745 267.4
[M]- 894.06855 267.4
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.