CID 210122

3-(diethylamino)-alpha,alpha,alpha-trifluoro-1-pyrrolidinecarboxy-m-toluidide hydrochloride

Structural Information

Molecular Formula
C16H22F3N3O
SMILES
CCN(CC)C1CCN(C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F
InChI
InChI=1S/C16H22F3N3O/c1-3-21(4-2)14-8-9-22(11-14)15(23)20-13-7-5-6-12(10-13)16(17,18)19/h5-7,10,14H,3-4,8-9,11H2,1-2H3,(H,20,23)
InChIKey
MDEVBNCLTHIQRO-UHFFFAOYSA-N
Compound name
3-(diethylamino)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.1715 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.17878 176.1
[M+Na]+ 352.16072 180.7
[M-H]- 328.16422 178.4
[M+NH4]+ 347.20532 190.5
[M+K]+ 368.13466 177.7
[M+H-H2O]+ 312.16876 165.2
[M+HCOO]- 374.16970 193.6
[M+CH3COO]- 388.18535 215.3
[M+Na-2H]- 350.14617 175.4
[M]+ 329.17095 170.9
[M]- 329.17205 170.9
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

No patent data available for this compound.