CID 106100

67906-49-4

Structural Information

Molecular Formula
C28H22N6O7S2
SMILES
CC(=O)NC1=CC=C(C=C1)N=NC2=C3C=CC(=CC3=C(C=C2)N=NC4=C5C=CC(=CC5=C(C=C4)N)S(=O)(=O)O)S(=O)(=O)O
InChI
InChI=1S/C28H22N6O7S2/c1-16(35)30-17-2-4-18(5-3-17)31-32-27-12-13-28(24-15-20(43(39,40)41)7-9-22(24)27)34-33-26-11-10-25(29)23-14-19(42(36,37)38)6-8-21(23)26/h2-15H,29H2,1H3,(H,30,35)(H,36,37,38)(H,39,40,41)
InChIKey
YMCDLYQFJLDWNW-UHFFFAOYSA-N
Compound name
5-[[4-[(4-acetamidophenyl)diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]-8-aminonaphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

618.0991 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 619.10638 232.4
[M+Na]+ 641.08832 242.2
[M+NH4]+ 636.13292 235.4
[M+K]+ 657.06226 234.2
[M-H]- 617.09182 239.1
[M+Na-2H]- 639.07377 242.1
[M]+ 618.09855 236.2
[M]- 618.09965 236.2
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.