CID 110100

Basic red 76

Structural Information

Molecular Formula
C20H22N3O2
SMILES
C[N+](C)(C)C1=CC2=C(C=C1)C=CC(=C2N=NC3=CC=CC=C3OC)O
InChI
InChI=1S/C20H21N3O2/c1-23(2,3)15-11-9-14-10-12-18(24)20(16(14)13-15)22-21-17-7-5-6-8-19(17)25-4/h5-13H,1-4H3/p+1
InChIKey
JRLHNNXKFJWBJQ-UHFFFAOYSA-O
Compound name
[7-hydroxy-8-[(2-methoxyphenyl)diazenyl]naphthalen-2-yl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5427
Patents

336.1712 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.17848 178.4
[M+Na]+ 359.16042 194.8
[M+NH4]+ 354.20502 188.3
[M+K]+ 375.13436 186.9
[M-H]- 335.16392 187.6
[M+Na-2H]- 357.14587 189.5
[M]+ 336.17065 183.9
[M]- 336.17175 183.9
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