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]+ 347.19655 183.5
[M+Na]+ 369.17849 187.4
[M-H]- 345.18199 187.0
[M+NH4]+ 364.22309 196.0
[M+K]+ 385.15243 184.3
[M+H-H2O]+ 329.18653 176.1
[M+HCOO]- 391.18747 200.1
[M+CH3COO]- 405.20312 213.6
[M+Na-2H]- 367.16394 181.6
[M]+ 346.18872 183.2
[M]- 346.18982 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.