CID 140079196

Whp dipeptide

Structural Information

Molecular Formula
C16H19N3O4
SMILES
C1[C@H](CN([C@@H]1C(=O)O)C(=O)[C@H](CC2=CNC3=CC=CC=C32)N)O
InChI
InChI=1S/C16H19N3O4/c17-12(5-9-7-18-13-4-2-1-3-11(9)13)15(21)19-8-10(20)6-14(19)16(22)23/h1-4,7,10,12,14,18,20H,5-6,8,17H2,(H,22,23)/t10-,12+,14+/m1/s1
InChIKey
XMEUQXQNFRSXLF-OSMZGAPFSA-N
Compound name
(2S,4R)-1-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.13754 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.14482 172.4
[M+Na]+ 340.12676 177.7
[M-H]- 316.13026 173.8
[M+NH4]+ 335.17136 185.8
[M+K]+ 356.10070 173.6
[M+H-H2O]+ 300.13480 165.4
[M+HCOO]- 362.13574 187.5
[M+CH3COO]- 376.15139 201.5
[M+Na-2H]- 338.11221 169.4
[M]+ 317.13699 168.8
[M]- 317.13809 168.8
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.