CID 333209

18921-54-5

Structural Information

Molecular Formula
C16H22N2O5
SMILES
CCCC(C(=O)O)NC(=O)C(C)NC(=O)OCC1=CC=CC=C1
InChI
InChI=1S/C16H22N2O5/c1-3-7-13(15(20)21)18-14(19)11(2)17-16(22)23-10-12-8-5-4-6-9-12/h4-6,8-9,11,13H,3,7,10H2,1-2H3,(H,17,22)(H,18,19)(H,20,21)
InChIKey
LDWKLEOJLPWEIE-UHFFFAOYSA-N
Compound name
2-[2-(phenylmethoxycarbonylamino)propanoylamino]pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.15286 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.16014 176.4
[M+Na]+ 345.14208 181.7
[M+NH4]+ 340.18668 179.5
[M+K]+ 361.11602 179.7
[M-H]- 321.14558 174.9
[M+Na-2H]- 343.12753 177.6
[M]+ 322.15231 175.9
[M]- 322.15341 175.9
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.