CID 135422069

Diamine green b

Structural Information

Molecular Formula
C34H24N8O10S2
SMILES
C1=CC(=CC=C1C2=CC=C(C=C2)N=NC3=C(C4=C(C(=C(C=C4C=C3S(=O)(=O)O)S(=O)(=O)O)N=NC5=CC=C(C=C5)[N+](=O)[O-])N)O)N=NC6=CC=C(C=C6)O
InChI
InChI=1S/C34H24N8O10S2/c35-31-30-21(17-28(53(47,48)49)32(31)40-38-24-9-13-26(14-10-24)42(45)46)18-29(54(50,51)52)33(34(30)44)41-39-23-7-3-20(4-8-23)19-1-5-22(6-2-19)36-37-25-11-15-27(43)16-12-25/h1-18,43-44H,35H2,(H,47,48,49)(H,50,51,52)
InChIKey
STOOUUMSJPLRNI-UHFFFAOYSA-N
Compound name
5-amino-4-hydroxy-3-[[4-[4-[(4-hydroxyphenyl)diazenyl]phenyl]phenyl]diazenyl]-6-[(4-nitrophenyl)diazenyl]naphthalene-2,7-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

5725
Patents

768.10565 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 769.11293 253.1
[M+Na]+ 791.09487 259.4
[M+NH4]+ 786.13947 258.4
[M+K]+ 807.06881 256.3
[M-H]- 767.09837 252.8
[M+Na-2H]- 789.08032 279.1
[M]+ 768.10510 256.8
[M]- 768.10620 256.8
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

patents stripe