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 172.7
[M+Na]+ 338.17132 179.7
[M-H]- 314.17482 183.7
[M+NH4]+ 333.21592 188.2
[M+K]+ 354.14526 172.8
[M+H-H2O]+ 298.17936 166.2
[M+HCOO]- 360.18030 202.3
[M+CH3COO]- 374.19595 218.6
[M+Na-2H]- 336.15677 181.5
[M]+ 315.18155 175.9
[M]- 315.18265 175.9
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