CID 6102824

(1s)-1-cyclopropyl-2-[(2s)-4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydro-1h-pyrrol-1-yl]-2-oxoethanamine

Structural Information

Molecular Formula
C21H20F2N2O
SMILES
C1CC1[C@@H](C(=O)N2CC(=C[C@H]2C3=CC=CC=C3)C4=C(C=CC(=C4)F)F)N
InChI
InChI=1S/C21H20F2N2O/c22-16-8-9-18(23)17(11-16)15-10-19(13-4-2-1-3-5-13)25(12-15)21(26)20(24)14-6-7-14/h1-5,8-11,14,19-20H,6-7,12,24H2/t19-,20-/m0/s1
InChIKey
VCOUEHUEFUDZIS-PMACEKPBSA-N
Compound name
(2S)-2-amino-2-cyclopropyl-1-[(2S)-4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

12
Patents

354.15436 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.16164 173.9
[M+Na]+ 377.14358 181.9
[M-H]- 353.14708 182.7
[M+NH4]+ 372.18818 181.8
[M+K]+ 393.11752 174.9
[M+H-H2O]+ 337.15162 163.6
[M+HCOO]- 399.15256 192.9
[M+CH3COO]- 413.16821 183.6
[M+Na-2H]- 375.12903 171.4
[M]+ 354.15381 171.4
[M]- 354.15491 171.4
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