CID 451519

2-[5-oh-2-me-4-(6-nh2-1-oh-3-sulfo-2-naphthylazo)phenylazo]1,4-benzenediso3h cu(ii)

Structural Information

Molecular Formula
C24H21N5O10S3
SMILES
CC1=CC(=C(C=C1N=NC2=C(C=C3C=C(C=CC3=C2O)N)S(=O)(=O)O)C)N=NC4=C(C=CC(=C4)S(=O)(=O)O)S(=O)(=O)O
InChI
InChI=1S/C24H21N5O10S3/c1-12-8-19(27-29-23-22(42(37,38)39)10-14-9-15(25)3-5-17(14)24(23)30)13(2)7-18(12)26-28-20-11-16(40(31,32)33)4-6-21(20)41(34,35)36/h3-11,30H,25H2,1-2H3,(H,31,32,33)(H,34,35,36)(H,37,38,39)
InChIKey
HZNFYAKIZGZVIT-UHFFFAOYSA-N
Compound name
2-[[4-[(6-amino-1-hydroxy-3-sulfonaphthalen-2-yl)diazenyl]-2,5-dimethylphenyl]diazenyl]benzene-1,4-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

635.04504 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 636.05232 238.1
[M+Na]+ 658.03426 240.9
[M-H]- 634.03776 243.8
[M+NH4]+ 653.07886 237.0
[M+K]+ 674.00820 235.9
[M+H-H2O]+ 618.04230 227.6
[M+HCOO]- 680.04324 244.7
[M+CH3COO]- 694.05889 270.4
[M+Na-2H]- 656.01971 263.9
[M]+ 635.04449 275.3
[M]- 635.04559 275.3
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.