CID 66546

84-94-6

Structural Information

Molecular Formula
C17H15N3O6S2
SMILES
CC1=C(C=CC(=C1)N)N=NC2=CC3=C(C=CC=C3S(=O)(=O)O)C(=C2)S(=O)(=O)O
InChI
InChI=1S/C17H15N3O6S2/c1-10-7-11(18)5-6-15(10)20-19-12-8-14-13(17(9-12)28(24,25)26)3-2-4-16(14)27(21,22)23/h2-9H,18H2,1H3,(H,21,22,23)(H,24,25,26)
InChIKey
XXZDPVOWJBCNQC-UHFFFAOYSA-N
Compound name
3-[(4-amino-2-methylphenyl)diazenyl]naphthalene-1,5-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

81
Patents

421.04022 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.04750 191.9
[M+Na]+ 444.02944 201.5
[M+NH4]+ 439.07404 196.5
[M+K]+ 460.00338 194.4
[M-H]- 420.03294 194.3
[M+Na-2H]- 442.01489 197.8
[M]+ 421.03967 194.6
[M]- 421.04077 194.6
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