CID 105952

61827-75-6

Structural Information

Molecular Formula
C18H17N3O7S2
SMILES
CC1=CC(=C(C=C1N=NC2=CC3=C(C=CC=C3S(=O)(=O)O)C(=C2)S(=O)(=O)O)OC)N
InChI
InChI=1S/C18H17N3O7S2/c1-10-6-14(19)16(28-2)9-15(10)21-20-11-7-13-12(18(8-11)30(25,26)27)4-3-5-17(13)29(22,23)24/h3-9H,19H2,1-2H3,(H,22,23,24)(H,25,26,27)
InChIKey
DCVDDHNAUZKOGX-UHFFFAOYSA-N
Compound name
3-[(4-amino-5-methoxy-2-methylphenyl)diazenyl]naphthalene-1,5-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

451.05078 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.05806 199.8
[M+Na]+ 474.04000 208.9
[M+NH4]+ 469.08460 203.6
[M+K]+ 490.01394 202.4
[M-H]- 450.04350 201.7
[M+Na-2H]- 472.02545 204.8
[M]+ 451.05023 202.3
[M]- 451.05133 202.3
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

patents stripe