CID 23275780

Methionyltyrosine

Structural Information

Molecular Formula
C14H20N2O4S
SMILES
CSCCC(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)O)N
InChI
InChI=1S/C14H20N2O4S/c1-21-7-6-11(15)13(18)16-12(14(19)20)8-9-2-4-10(17)5-3-9/h2-5,11-12,17H,6-8,15H2,1H3,(H,16,18)(H,19,20)
InChIKey
PESQCPHRXOFIPX-UHFFFAOYSA-N
Compound name
2-[(2-amino-4-methylsulfanylbutanoyl)amino]-3-(4-hydroxyphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

36738
Patents

312.11438 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.12166 171.8
[M+Na]+ 335.10360 177.0
[M+NH4]+ 330.14820 176.0
[M+K]+ 351.07754 173.0
[M-H]- 311.10710 170.8
[M+Na-2H]- 333.08905 172.7
[M]+ 312.11383 172.0
[M]- 312.11493 172.0
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