CID 210125

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

Structural Information

Molecular Formula
C19H20F3N3O
SMILES
CN(C1CCN(C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)C3=CC=CC=C3
InChI
InChI=1S/C19H20F3N3O/c1-24(16-8-3-2-4-9-16)17-10-11-25(13-17)18(26)23-15-7-5-6-14(12-15)19(20,21)22/h2-9,12,17H,10-11,13H2,1H3,(H,23,26)
InChIKey
WBKNQTFBWCAEQN-UHFFFAOYSA-N
Compound name
3-(N-methylanilino)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.15585 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.16313 182.8
[M+Na]+ 386.14507 187.3
[M-H]- 362.14857 188.2
[M+NH4]+ 381.18967 195.2
[M+K]+ 402.11901 183.0
[M+H-H2O]+ 346.15311 170.7
[M+HCOO]- 408.15405 200.7
[M+CH3COO]- 422.16970 220.0
[M+Na-2H]- 384.13052 183.0
[M]+ 363.15530 176.4
[M]- 363.15640 176.4
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.