CID 11840968

(2s)-4-(2,5-difluorophenyl)-n,n-dimethyl-2-phenyl-2,5-dihydro-1h-pyrrole-1-carboxamide

Structural Information

Molecular Formula
C19H18F2N2O
SMILES
CN(C)C(=O)N1CC(=C[C@H]1C2=CC=CC=C2)C3=C(C=CC(=C3)F)F
InChI
InChI=1S/C19H18F2N2O/c1-22(2)19(24)23-12-14(16-11-15(20)8-9-17(16)21)10-18(23)13-6-4-3-5-7-13/h3-11,18H,12H2,1-2H3/t18-/m0/s1
InChIKey
WFFMEXQHWXEKBV-SFHVURJKSA-N
Compound name
(2S)-4-(2,5-difluorophenyl)-N,N-dimethyl-2-phenyl-2,5-dihydropyrrole-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

29
Patents

328.13873 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.14601 176.1
[M+Na]+ 351.12795 183.9
[M-H]- 327.13145 183.8
[M+NH4]+ 346.17255 190.9
[M+K]+ 367.10189 179.2
[M+H-H2O]+ 311.13599 165.1
[M+HCOO]- 373.13693 197.0
[M+CH3COO]- 387.15258 214.6
[M+Na-2H]- 349.11340 174.7
[M]+ 328.13818 174.2
[M]- 328.13928 174.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe