CID 10915114

Basic orange 69

Structural Information

Molecular Formula
C17H23N4O2
SMILES
C[N+](C)(C)C1=CC=CC(=C1)N=NC2=C(C=C(C(=C2)OC)N)OC
InChI
InChI=1S/C17H23N4O2/c1-21(2,3)13-8-6-7-12(9-13)19-20-15-11-16(22-4)14(18)10-17(15)23-5/h6-11H,18H2,1-5H3/q+1
InChIKey
KVOHWQOWTKJQQU-UHFFFAOYSA-N
Compound name
[3-[(4-amino-2,5-dimethoxyphenyl)diazenyl]phenyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

675
Patents

315.1821 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.18938 173.7
[M+Na]+ 338.17132 187.7
[M+NH4]+ 333.21592 182.4
[M+K]+ 354.14526 181.4
[M-H]- 314.17482 182.3
[M+Na-2H]- 336.15677 183.8
[M]+ 315.18155 178.5
[M]- 315.18265 178.5
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