CID 3103021

Z-ile-phe-ome

Structural Information

Molecular Formula
C24H30N2O5
SMILES
CCC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)OC)NC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C24H30N2O5/c1-4-17(2)21(26-24(29)31-16-19-13-9-6-10-14-19)22(27)25-20(23(28)30-3)15-18-11-7-5-8-12-18/h5-14,17,20-21H,4,15-16H2,1-3H3,(H,25,27)(H,26,29)
InChIKey
MNGJXXOGLLZAJR-UHFFFAOYSA-N
Compound name
methyl 2-[[3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-3-phenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.21548 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.22276 203.9
[M+Na]+ 449.20470 210.7
[M+NH4]+ 444.24930 207.2
[M+K]+ 465.17864 206.9
[M-H]- 425.20820 205.5
[M+Na-2H]- 447.19015 207.8
[M]+ 426.21493 204.7
[M]- 426.21603 204.7
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.