CID 333237

56610-11-8

Structural Information

Molecular Formula
C15H20N2O5
SMILES
CCCC(C(=O)NCC(=O)O)NC(=O)OCC1=CC=CC=C1
InChI
InChI=1S/C15H20N2O5/c1-2-6-12(14(20)16-9-13(18)19)17-15(21)22-10-11-7-4-3-5-8-11/h3-5,7-8,12H,2,6,9-10H2,1H3,(H,16,20)(H,17,21)(H,18,19)
InChIKey
DSGKPVVFBQQVSE-UHFFFAOYSA-N
Compound name
2-[2-(phenylmethoxycarbonylamino)pentanoylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.1372 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.14448 172.4
[M+Na]+ 331.12642 178.3
[M+NH4]+ 326.17102 175.9
[M+K]+ 347.10036 175.7
[M-H]- 307.12992 171.2
[M+Na-2H]- 329.11187 174.2
[M]+ 308.13665 172.1
[M]- 308.13775 172.1
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.