CID 131752386

10275-84-0

Structural Information

Molecular Formula
C14H18N2O5
SMILES
C1=CC=C(C=C1)C(CC(=O)O)NC(=O)CCC(C(=O)O)N
InChI
InChI=1S/C14H18N2O5/c15-10(14(20)21)6-7-12(17)16-11(8-13(18)19)9-4-2-1-3-5-9/h1-5,10-11H,6-8,15H2,(H,16,17)(H,18,19)(H,20,21)
InChIKey
IDPGQVFKQDLMJA-UHFFFAOYSA-N
Compound name
2-amino-5-[(2-carboxy-1-phenylethyl)amino]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.12158 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.12886 168.2
[M+Na]+ 317.11080 169.9
[M-H]- 293.11430 167.6
[M+NH4]+ 312.15540 180.1
[M+K]+ 333.08474 168.7
[M+H-H2O]+ 277.11884 160.8
[M+HCOO]- 339.11978 186.1
[M+CH3COO]- 353.13543 203.1
[M+Na-2H]- 315.09625 166.3
[M]+ 294.12103 165.3
[M]- 294.12213 165.3
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.