CID 3075753

L-prolyl-l-tyrosineamide trifluoroacetate

Structural Information

Molecular Formula
C14H19N3O3
SMILES
C1C[C@H](NC1)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N
InChI
InChI=1S/C14H19N3O3/c15-13(19)12(8-9-3-5-10(18)6-4-9)17-14(20)11-2-1-7-16-11/h3-6,11-12,16,18H,1-2,7-8H2,(H2,15,19)(H,17,20)/t11-,12-/m0/s1
InChIKey
FYSOVNFPTBIWBY-RYUDHWBXSA-N
Compound name
(2S)-N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

277.14264 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.14992 164.2
[M+Na]+ 300.13186 166.3
[M-H]- 276.13536 165.7
[M+NH4]+ 295.17646 177.5
[M+K]+ 316.10580 163.1
[M+H-H2O]+ 260.13990 156.2
[M+HCOO]- 322.14084 181.6
[M+CH3COO]- 336.15649 197.8
[M+Na-2H]- 298.11731 162.7
[M]+ 277.14209 156.8
[M]- 277.14319 156.8
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

No patent data available for this compound.