CID 105612

67786-18-9

Structural Information

Molecular Formula
C23H19N5O6S2
SMILES
CC1=C(C=CC(=C1)N)N=NC2=CC=C(C=C2)N=NC3=CC4=C(C=C(C=C4C=C3)S(=O)(=O)O)S(=O)(=O)O
InChI
InChI=1S/C23H19N5O6S2/c1-14-10-16(24)3-9-22(14)28-26-18-7-5-17(6-8-18)25-27-19-4-2-15-11-20(35(29,30)31)13-23(21(15)12-19)36(32,33)34/h2-13H,24H2,1H3,(H,29,30,31)(H,32,33,34)
InChIKey
VCJRYIAQDTUCIG-UHFFFAOYSA-N
Compound name
7-[[4-[(4-amino-2-methylphenyl)diazenyl]phenyl]diazenyl]naphthalene-1,3-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

525.0777 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 526.08498 215.5
[M+Na]+ 548.06692 225.6
[M+NH4]+ 543.11152 219.6
[M+K]+ 564.04086 217.2
[M-H]- 524.07042 221.7
[M+Na-2H]- 546.05237 224.8
[M]+ 525.07715 219.3
[M]- 525.07825 219.3
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.