CID 19976

4061-34-1

Structural Information

Molecular Formula
C20H26N3O2
SMILES
CC1=C(C(=CC=C1)C)NC(=O)C[N+](C)(C)CC(=O)NC2=CC=CC=C2
InChI
InChI=1S/C20H25N3O2/c1-15-9-8-10-16(2)20(15)22-19(25)14-23(3,4)13-18(24)21-17-11-6-5-7-12-17/h5-12H,13-14H2,1-4H3,(H-,21,22,24,25)/p+1
InChIKey
XTIOMDJLAFIOAA-UHFFFAOYSA-O
Compound name
(2-anilino-2-oxoethyl)-[2-(2,6-dimethylanilino)-2-oxoethyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.2025 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.20978 181.7
[M+Na]+ 363.19172 185.4
[M-H]- 339.19522 189.5
[M+NH4]+ 358.23632 194.7
[M+K]+ 379.16566 176.8
[M+H-H2O]+ 323.19976 175.7
[M+HCOO]- 385.20070 205.2
[M+CH3COO]- 399.21635 215.6
[M+Na-2H]- 361.17717 187.7
[M]+ 340.20195 181.1
[M]- 340.20305 181.1
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.