CID 3042478

59749-40-5

Structural Information

Molecular Formula
C18H22FNO5
SMILES
CC1(OCC(O1)COC(=O)[C@@H]2CCC(=O)N2CC3=CC=C(C=C3)F)C
InChI
InChI=1S/C18H22FNO5/c1-18(2)24-11-14(25-18)10-23-17(22)15-7-8-16(21)20(15)9-12-3-5-13(19)6-4-12/h3-6,14-15H,7-11H2,1-2H3/t14?,15-/m0/s1
InChIKey
NESFVXPJDIYJAJ-LOACHALJSA-N
Compound name
(2,2-dimethyl-1,3-dioxolan-4-yl)methyl (2S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.1482 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.15548 178.9
[M+Na]+ 374.13742 185.5
[M-H]- 350.14092 187.4
[M+NH4]+ 369.18202 193.3
[M+K]+ 390.11136 185.1
[M+H-H2O]+ 334.14546 172.0
[M+HCOO]- 396.14640 195.3
[M+CH3COO]- 410.16205 210.2
[M+Na-2H]- 372.12287 176.8
[M]+ 351.14765 180.5
[M]- 351.14875 180.5
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.