CID 10246762

Sembragiline

Structural Information

Molecular Formula
C19H19FN2O3
SMILES
CC(=O)N[C@H]1CC(=O)N(C1)C2=CC=C(C=C2)OCC3=CC(=CC=C3)F
InChI
InChI=1S/C19H19FN2O3/c1-13(23)21-16-10-19(24)22(11-16)17-5-7-18(8-6-17)25-12-14-3-2-4-15(20)9-14/h2-9,16H,10-12H2,1H3,(H,21,23)/t16-/m0/s1
InChIKey
VMAVCCUQTALHOB-INIZCTEOSA-N
Compound name
N-[(3S)-1-[4-[(3-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidin-3-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

95
Patents

342.13797 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.14525 179.0
[M+Na]+ 365.12719 185.4
[M-H]- 341.13069 186.3
[M+NH4]+ 360.17179 192.2
[M+K]+ 381.10113 180.8
[M+H-H2O]+ 325.13523 168.8
[M+HCOO]- 387.13617 199.6
[M+CH3COO]- 401.15182 213.2
[M+Na-2H]- 363.11264 178.2
[M]+ 342.13742 177.7
[M]- 342.13852 177.7
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