CID 44147215

N-(1-oxo-2-phenylbutyl)-l-methionine

Structural Information

Molecular Formula
C15H21NO3S
SMILES
CCC(C1=CC=CC=C1)C(=O)N[C@@H](CCSC)C(=O)O
InChI
InChI=1S/C15H21NO3S/c1-3-12(11-7-5-4-6-8-11)14(17)16-13(15(18)19)9-10-20-2/h4-8,12-13H,3,9-10H2,1-2H3,(H,16,17)(H,18,19)/t12?,13-/m0/s1
InChIKey
PPPZIKYQTYHWJF-ABLWVSNPSA-N
Compound name
(2S)-4-methylsulfanyl-2-(2-phenylbutanoylamino)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

295.1242 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.131476 170.9
[M+Na]+ 318.113418 173.5
[M-H]- 294.116924 172.0
[M+NH4]+ 313.158023 185.0
[M+K]+ 334.087358 170.5
[M+H-H2O]+ 278.121460 163.7
[M+HCOO]- 340.122401 184.4
[M+CH3COO]- 354.138051 202.6
[M+Na-2H]- 316.098866 168.4
[M]+ 295.12365142 172.7
[M]- 295.12474858 172.7
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

patents stripe