CID 73513

14030-00-3

Structural Information

Molecular Formula
C16H20N2O5
SMILES
C[C@@H](C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C16H20N2O5/c1-11(15(20)21)17-14(19)13-8-5-9-18(13)16(22)23-10-12-6-3-2-4-7-12/h2-4,6-7,11,13H,5,8-10H2,1H3,(H,17,19)(H,20,21)/t11-,13-/m0/s1
InChIKey
XMVYSQUPGXSTJR-AAEUAGOBSA-N
Compound name
(2S)-2-[[(2S)-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

320.1372 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.144476 174.2
[M+Na]+ 343.126418 176.6
[M-H]- 319.129924 177.4
[M+NH4]+ 338.171023 186.9
[M+K]+ 359.100358 175.3
[M+H-H2O]+ 303.134460 166.1
[M+HCOO]- 365.135401 191.6
[M+CH3COO]- 379.151051 204.5
[M+Na-2H]- 341.111866 171.8
[M]+ 320.13665142 172.5
[M]- 320.13774858 172.5
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

patents stripe