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
3
Annotation Hits

0
References

5438
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 179.0
[M+Na]+ 359.16042 186.2
[M-H]- 335.16392 189.7
[M+NH4]+ 354.20502 194.2
[M+K]+ 375.13436 177.5
[M+H-H2O]+ 319.16846 172.3
[M+HCOO]- 381.16940 205.2
[M+CH3COO]- 395.18505 218.2
[M+Na-2H]- 357.14587 189.5
[M]+ 336.17065 181.7
[M]- 336.17175 181.7
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

patents stripe