CID 3084641

Benzeneethanaminium, 4-((4-amino-2-methylphenyl)azo)-n,n,n-trimethyl-beta-oxo-, chloride

Structural Information

Molecular Formula
C18H23N4O
SMILES
CC1=C(C=CC(=C1)N)N=NC2=CC=C(C=C2)C(=O)C[N+](C)(C)C
InChI
InChI=1S/C18H22N4O/c1-13-11-15(19)7-10-17(13)21-20-16-8-5-14(6-9-16)18(23)12-22(2,3)4/h5-11H,12H2,1-4H3,(H-,19,20,23)/p+1
InChIKey
TWNUZSSMWBHPPX-UHFFFAOYSA-O
Compound name
[2-[4-[(4-amino-2-methylphenyl)diazenyl]phenyl]-2-oxoethyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.1872 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.19448 173.9
[M+Na]+ 334.17642 187.5
[M+NH4]+ 329.22102 182.6
[M+K]+ 350.15036 181.0
[M-H]- 310.17992 182.5
[M+Na-2H]- 332.16187 184.0
[M]+ 311.18665 178.6
[M]- 311.18775 178.6
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

No patent data available for this compound.