CID 165362860

Dtxsid501022048

Structural Information

Molecular Formula
C20H28N2O4
SMILES
CC(C)(C)CCN[C@H]1CC(=O)N(C1=O)[C@@H](CC2=CC=CC=C2)C(=O)OC
InChI
InChI=1S/C20H28N2O4/c1-20(2,3)10-11-21-15-13-17(23)22(18(15)24)16(19(25)26-4)12-14-8-6-5-7-9-14/h5-9,15-16,21H,10-13H2,1-4H3/t15-,16-/m0/s1
InChIKey
CUMAXZIMTKCOLU-HOTGVXAUSA-N
Compound name
methyl (2S)-2-[(3S)-3-(3,3-dimethylbutylamino)-2,5-dioxopyrrolidin-1-yl]-3-phenylpropanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

360.2049 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.21218 187.9
[M+Na]+ 383.19412 191.9
[M-H]- 359.19762 192.7
[M+NH4]+ 378.23872 200.6
[M+K]+ 399.16806 189.4
[M+H-H2O]+ 343.20216 180.1
[M+HCOO]- 405.20310 205.7
[M+CH3COO]- 419.21875 218.3
[M+Na-2H]- 381.17957 185.9
[M]+ 360.20435 189.8
[M]- 360.20545 189.8
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.