CID 3103021

4818-06-8

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 206.4
[M+Na]+ 449.20470 205.5
[M-H]- 425.20820 211.1
[M+NH4]+ 444.24930 214.1
[M+K]+ 465.17864 204.5
[M+H-H2O]+ 409.21274 196.3
[M+HCOO]- 471.21368 225.0
[M+CH3COO]- 485.22933 232.4
[M+Na-2H]- 447.19015 203.1
[M]+ 426.21493 208.4
[M]- 426.21603 208.4
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.