CID 122019

96922-64-4

Structural Information

Molecular Formula
C21H23FN2O4
SMILES
CC(C(=O)CF)NC(=O)C(CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C21H23FN2O4/c1-15(19(25)13-22)23-20(26)18(12-16-8-4-2-5-9-16)24-21(27)28-14-17-10-6-3-7-11-17/h2-11,15,18H,12-14H2,1H3,(H,23,26)(H,24,27)
InChIKey
ASXVEBPEZMSPHB-UHFFFAOYSA-N
Compound name
benzyl N-[1-[(4-fluoro-3-oxobutan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

67
References

324
Patents

386.16418 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.17146 193.0
[M+Na]+ 409.15340 193.9
[M-H]- 385.15690 196.8
[M+NH4]+ 404.19800 202.4
[M+K]+ 425.12734 191.5
[M+H-H2O]+ 369.16144 182.5
[M+HCOO]- 431.16238 212.3
[M+CH3COO]- 445.17803 223.8
[M+Na-2H]- 407.13885 191.6
[M]+ 386.16363 192.2
[M]- 386.16473 192.2
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