CID 135853579

68877-33-8

Structural Information

Molecular Formula
C28H23N9O7S2
SMILES
C1=CC=C(C=C1)N=NC2=C(C3=C(C(=C(C=C3C=C2S(=O)(=O)O)S(=O)(=O)O)N=NC4=CC=C(C=C4)N=NC5=C(C=C(C=C5)N)N)N)O
InChI
InChI=1S/C28H23N9O7S2/c29-16-6-11-21(20(30)14-16)35-32-18-7-9-19(10-8-18)34-36-26-22(45(39,40)41)12-15-13-23(46(42,43)44)27(28(38)24(15)25(26)31)37-33-17-4-2-1-3-5-17/h1-14,38H,29-31H2,(H,39,40,41)(H,42,43,44)
InChIKey
VAUSUIJJZRZOGA-UHFFFAOYSA-N
Compound name
4-amino-3-[[4-[(2,4-diaminophenyl)diazenyl]phenyl]diazenyl]-5-hydroxy-6-phenyldiazenylnaphthalene-2,7-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

661.1162 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 662.12348 258.9
[M+Na]+ 684.10542 270.0
[M-H]- 660.10892 260.4
[M+NH4]+ 679.15002 265.0
[M+K]+ 700.07936 263.6
[M+H-H2O]+ 644.11346 243.0
[M+HCOO]- 706.11440 265.9
[M+CH3COO]- 720.13005 268.8
[M+Na-2H]- 682.09087 290.0
[M]+ 661.11565 302.3
[M]- 661.11675 302.3
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.