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

143
Patents

333.15402 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.16130 180.0
[M+Na]+ 356.14324 189.9
[M+NH4]+ 351.18784 185.8
[M+K]+ 372.11718 183.1
[M-H]- 332.14674 180.9
[M+Na-2H]- 354.12869 186.8
[M]+ 333.15347 181.5
[M]- 333.15457 181.5
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