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

149
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 178.9
[M+Na]+ 356.14324 183.1
[M-H]- 332.14674 183.2
[M+NH4]+ 351.18784 192.2
[M+K]+ 372.11718 179.8
[M+H-H2O]+ 316.15128 168.3
[M+HCOO]- 378.15222 199.0
[M+CH3COO]- 392.16787 214.4
[M+Na-2H]- 354.12869 182.1
[M]+ 333.15347 178.9
[M]- 333.15457 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