CID 100048

Methionylphenylalanine

Structural Information

Molecular Formula
C14H20N2O3S
SMILES
CSCCC(C(=O)NC(CC1=CC=CC=C1)C(=O)O)N
InChI
InChI=1S/C14H20N2O3S/c1-20-8-7-11(15)13(17)16-12(14(18)19)9-10-5-3-2-4-6-10/h2-6,11-12H,7-9,15H2,1H3,(H,16,17)(H,18,19)
InChIKey
HGCNKOLVKRAVHD-UHFFFAOYSA-N
Compound name
2-[(2-amino-4-methylsulfanylbutanoyl)amino]-3-phenylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

6
References

34759
Patents

296.11948 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.12676 168.7
[M+Na]+ 319.10870 174.6
[M+NH4]+ 314.15330 173.9
[M+K]+ 335.08264 169.6
[M-H]- 295.11220 168.8
[M+Na-2H]- 317.09415 170.9
[M]+ 296.11893 169.4
[M]- 296.12003 169.4
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