CID 165362861

Dtxsid201022049

Structural Information

Molecular Formula
C19H26N2O4
SMILES
CC(C)(C)CCN[C@H]1CC(=O)N(C1=O)[C@@H](CC2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C19H26N2O4/c1-19(2,3)9-10-20-14-12-16(22)21(17(14)23)15(18(24)25)11-13-7-5-4-6-8-13/h4-8,14-15,20H,9-12H2,1-3H3,(H,24,25)/t14-,15-/m0/s1
InChIKey
DTZTXLMSLXEOCS-GJZGRUSLSA-N
Compound name
(2S)-2-[(3S)-3-(3,3-dimethylbutylamino)-2,5-dioxopyrrolidin-1-yl]-3-phenylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

346.18927 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.196546 183.5
[M+Na]+ 369.178488 187.4
[M-H]- 345.181994 187.0
[M+NH4]+ 364.223093 196.0
[M+K]+ 385.152428 184.3
[M+H-H2O]+ 329.186530 176.1
[M+HCOO]- 391.187471 200.1
[M+CH3COO]- 405.203121 213.6
[M+Na-2H]- 367.163936 181.6
[M]+ 346.18872142 183.2
[M]- 346.18981858 183.2
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.