CID 103258

65150-87-0

Structural Information

Molecular Formula
C32H22N4O11S3
SMILES
C1=CC=C2C(=C1)C=CC(=C2N=NC3=CC=C(C=C3)C4=CC=C(C=C4)N=NC5=C(C6=C(C=C(C=C6C=C5S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)O)O
InChI
InChI=1S/C32H22N4O11S3/c37-26-14-9-20-3-1-2-4-25(20)30(26)35-33-22-10-5-18(6-11-22)19-7-12-23(13-8-19)34-36-31-28(50(45,46)47)16-21-15-24(48(39,40)41)17-27(49(42,43)44)29(21)32(31)38/h1-17,37-38H,(H,39,40,41)(H,42,43,44)(H,45,46,47)
InChIKey
LMKBZNJJQISXRN-UHFFFAOYSA-N
Compound name
8-hydroxy-7-[[4-[4-[(2-hydroxynaphthalen-1-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-1,3,6-trisulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

734.04474 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 735.05202 247.3
[M+Na]+ 757.03396 254.0
[M+NH4]+ 752.07856 251.3
[M+K]+ 773.00790 252.2
[M-H]- 733.03746 245.9
[M+Na-2H]- 755.01941 271.0
[M]+ 734.04419 249.6
[M]- 734.04529 249.6
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

patents stripe