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 218.7
[M+Na]+ 548.06692 225.1
[M-H]- 524.07042 229.8
[M+NH4]+ 543.11152 224.5
[M+K]+ 564.04086 219.8
[M+H-H2O]+ 508.07496 207.8
[M+HCOO]- 570.07590 235.6
[M+CH3COO]- 584.09155 255.5
[M+Na-2H]- 546.05237 228.6
[M]+ 525.07715 223.7
[M]- 525.07825 223.7
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.