CID 407428

57322-42-6

Structural Information

Molecular Formula
C26H19N3O6S2
SMILES
C1=CC=C(C=C1)NC2=CC=C(C3=CC=CC=C32)N=NC4=C(C=C5C=C(C=CC5=C4)S(=O)(=O)O)S(=O)(=O)O
InChI
InChI=1S/C26H19N3O6S2/c30-36(31,32)20-11-10-17-15-25(26(37(33,34)35)16-18(17)14-20)29-28-24-13-12-23(21-8-4-5-9-22(21)24)27-19-6-2-1-3-7-19/h1-16,27H,(H,30,31,32)(H,33,34,35)
InChIKey
BGHIEJHQLIHWPX-UHFFFAOYSA-N
Compound name
3-[(4-anilinonaphthalen-1-yl)diazenyl]naphthalene-2,7-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

533.07153 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 534.07881 215.8
[M+Na]+ 556.06075 229.6
[M+NH4]+ 551.10535 221.6
[M+K]+ 572.03469 219.2
[M-H]- 532.06425 222.5
[M+Na-2H]- 554.04620 226.9
[M]+ 533.07098 220.7
[M]- 533.07208 220.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe