CID 6449724

N-cinnamoyl-l-methionine methyl ester

Structural Information

Molecular Formula
C15H19NO3S
SMILES
COC(=O)[C@H](CCSC)NC(=O)/C=C/C1=CC=CC=C1
InChI
InChI=1S/C15H19NO3S/c1-19-15(18)13(10-11-20-2)16-14(17)9-8-12-6-4-3-5-7-12/h3-9,13H,10-11H2,1-2H3,(H,16,17)/b9-8+/t13-/m0/s1
InChIKey
WYVOPVXEPMYEBC-XEHSLEBBSA-N
Compound name
methyl (2S)-4-methylsulfanyl-2-[[(E)-3-phenylprop-2-enoyl]amino]butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.10855 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.11583 170.2
[M+Na]+ 316.09777 174.1
[M-H]- 292.10127 172.8
[M+NH4]+ 311.14237 185.3
[M+K]+ 332.07171 170.8
[M+H-H2O]+ 276.10581 162.7
[M+HCOO]- 338.10675 186.5
[M+CH3COO]- 352.12240 202.0
[M+Na-2H]- 314.08322 169.1
[M]+ 293.10800 173.6
[M]- 293.10910 173.6
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.