CID 121235

1937-35-5

Structural Information

Molecular Formula
C32H24N6O7S2
SMILES
C1=CC=C2C(=C1)C(=CC(=C2N)N=NC3=CC=C(C=C3)C4=CC=C(C=C4)N=NC5=C(C=CC6=CC(=CC(=C65)O)S(=O)(=O)O)N)S(=O)(=O)O
InChI
InChI=1S/C32H24N6O7S2/c33-26-14-9-20-15-23(46(40,41)42)16-28(39)30(20)32(26)38-36-22-12-7-19(8-13-22)18-5-10-21(11-6-18)35-37-27-17-29(47(43,44)45)24-3-1-2-4-25(24)31(27)34/h1-17,39H,33-34H2,(H,40,41,42)(H,43,44,45)
InChIKey
KXXRNNGEMNIAFA-UHFFFAOYSA-N
Compound name
6-amino-5-[[4-[4-[(1-amino-4-sulfonaphthalen-2-yl)diazenyl]phenyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

668.1148 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 669.12208 244.3
[M+Na]+ 691.10402 256.3
[M+NH4]+ 686.14862 247.7
[M+K]+ 707.07796 247.1
[M-H]- 667.10752 253.6
[M+Na-2H]- 689.08947 265.3
[M]+ 668.11425 249.4
[M]- 668.11535 249.4
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

patents stripe