CID 60416

110249-49-5

Structural Information

Molecular Formula
C21H28N2O2
SMILES
CCCOC(=O)C(C1=CC=CC=C1)N(CCN(C)C)C2=CC=CC=C2
InChI
InChI=1S/C21H28N2O2/c1-4-17-25-21(24)20(18-11-7-5-8-12-18)23(16-15-22(2)3)19-13-9-6-10-14-19/h5-14,20H,4,15-17H2,1-3H3
InChIKey
DFYXTAHLYLAWFJ-UHFFFAOYSA-N
Compound name
propyl 2-[N-[2-(dimethylamino)ethyl]anilino]-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.2151 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.222376 186.8
[M+Na]+ 363.204318 188.4
[M-H]- 339.207824 194.6
[M+NH4]+ 358.248923 199.9
[M+K]+ 379.178258 187.2
[M+H-H2O]+ 323.212360 176.7
[M+HCOO]- 385.213301 210.3
[M+CH3COO]- 399.228951 223.8
[M+Na-2H]- 361.189766 187.8
[M]+ 340.21455142 190.1
[M]- 340.21564858 190.1
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.