CID 11256065

Ethyl 3-(dibenzylamino)-2,2-difluoropropanoate

Structural Information

Molecular Formula
C19H21F2NO2
SMILES
CCOC(=O)C(CN(CC1=CC=CC=C1)CC2=CC=CC=C2)(F)F
InChI
InChI=1S/C19H21F2NO2/c1-2-24-18(23)19(20,21)15-22(13-16-9-5-3-6-10-16)14-17-11-7-4-8-12-17/h3-12H,2,13-15H2,1H3
InChIKey
VZBXWYDVDVKRLV-UHFFFAOYSA-N
Compound name
ethyl 3-(dibenzylamino)-2,2-difluoropropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

136
Patents

333.15402 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.161296 178.9
[M+Na]+ 356.143238 183.1
[M-H]- 332.146744 183.2
[M+NH4]+ 351.187843 192.2
[M+K]+ 372.117178 179.8
[M+H-H2O]+ 316.151280 168.3
[M+HCOO]- 378.152221 199.0
[M+CH3COO]- 392.167871 214.4
[M+Na-2H]- 354.128686 182.1
[M]+ 333.15347142 178.9
[M]- 333.15456858 178.9
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