CID 10445608

Phe-thr

Structural Information

Molecular Formula
C13H18N2O4
SMILES
C[C@H]([C@@H](C(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)N)O
InChI
InChI=1S/C13H18N2O4/c1-8(16)11(13(18)19)15-12(17)10(14)7-9-5-3-2-4-6-9/h2-6,8,10-11,16H,7,14H2,1H3,(H,15,17)(H,18,19)/t8-,10+,11+/m1/s1
InChIKey
NYQBYASWHVRESG-MIMYLULJSA-N
Compound name
(2S,3R)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-hydroxybutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3185
Patents

266.12665 Da
Monoisotopic Mass

-3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.13393 162.1
[M+Na]+ 289.11587 167.6
[M+NH4]+ 284.16047 166.1
[M+K]+ 305.08981 166.4
[M-H]- 265.11937 160.9
[M+Na-2H]- 287.10132 163.5
[M]+ 266.12610 161.8
[M]- 266.12720 161.8
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