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 172.8
[M+Na]+ 334.17642 178.6
[M-H]- 310.17992 183.4
[M+NH4]+ 329.22102 188.1
[M+K]+ 350.15036 170.8
[M+H-H2O]+ 294.18446 166.4
[M+HCOO]- 356.18540 201.1
[M+CH3COO]- 370.20105 218.0
[M+Na-2H]- 332.16187 180.5
[M]+ 311.18665 173.3
[M]- 311.18775 173.3
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.