CID 24839908

N-(3-(4-chlorophenyl)-3-oxopropyl)-l-leucine

Structural Information

Molecular Formula
C15H20ClNO3
SMILES
CC(C)C[C@@H](C(=O)O)NCCC(=O)C1=CC=C(C=C1)Cl
InChI
InChI=1S/C15H20ClNO3/c1-10(2)9-13(15(19)20)17-8-7-14(18)11-3-5-12(16)6-4-11/h3-6,10,13,17H,7-9H2,1-2H3,(H,19,20)/t13-/m0/s1
InChIKey
NIFUGRVUMJMYIH-ZDUSSCGKSA-N
Compound name
(2S)-2-[[3-(4-chlorophenyl)-3-oxopropyl]amino]-4-methylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.11316 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.12044 168.6
[M+Na]+ 320.10238 173.3
[M-H]- 296.10588 170.2
[M+NH4]+ 315.14698 183.5
[M+K]+ 336.07632 169.4
[M+H-H2O]+ 280.11042 163.0
[M+HCOO]- 342.11136 183.4
[M+CH3COO]- 356.12701 204.5
[M+Na-2H]- 318.08783 167.5
[M]+ 297.11261 171.1
[M]- 297.11371 171.1
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.