CID 47622

Di-pp-d-lysine

Structural Information

Molecular Formula
C24H30N2O4
SMILES
C1=CC=C(C=C1)CCC(=O)NCCCCC(C(=O)O)NC(=O)CCC2=CC=CC=C2
InChI
InChI=1S/C24H30N2O4/c27-22(16-14-19-9-3-1-4-10-19)25-18-8-7-13-21(24(29)30)26-23(28)17-15-20-11-5-2-6-12-20/h1-6,9-12,21H,7-8,13-18H2,(H,25,27)(H,26,28)(H,29,30)
InChIKey
MGQWZIJSHMDOKX-UHFFFAOYSA-N
Compound name
2,6-bis(3-phenylpropanoylamino)hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.22055 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.22783 203.3
[M+Na]+ 433.20977 210.7
[M+NH4]+ 428.25437 207.0
[M+K]+ 449.18371 204.9
[M-H]- 409.21327 205.2
[M+Na-2H]- 431.19522 207.5
[M]+ 410.22000 204.3
[M]- 410.22110 204.3
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.