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]+ 361.212176 187.9
[M+Na]+ 383.194118 191.9
[M-H]- 359.197624 192.7
[M+NH4]+ 378.238723 200.6
[M+K]+ 399.168058 189.4
[M+H-H2O]+ 343.202160 180.1
[M+HCOO]- 405.203101 205.7
[M+CH3COO]- 419.218751 218.3
[M+Na-2H]- 381.179566 185.9
[M]+ 360.20435142 189.8
[M]- 360.20544858 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.