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 177.2
[M+Na]+ 345.14208 178.7
[M-H]- 321.14558 178.3
[M+NH4]+ 340.18668 189.2
[M+K]+ 361.11602 178.1
[M+H-H2O]+ 305.15012 169.3
[M+HCOO]- 367.15106 196.6
[M+CH3COO]- 381.16671 210.3
[M+Na-2H]- 343.12753 175.8
[M]+ 322.15231 177.8
[M]- 322.15341 177.8
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.