CID 139417312

1-butanone, 2-(dimethylamino)-1-[4-(2-ethyl-2-methyl-3-oxazolidinyl)phenyl]-2-(phenylmethyl)-

Structural Information

Molecular Formula
C25H34N2O2
SMILES
CCC1(N(CCO1)C2=CC=C(C=C2)C(=O)C(CC)(CC3=CC=CC=C3)N(C)C)C
InChI
InChI=1S/C25H34N2O2/c1-6-24(3)27(17-18-29-24)22-15-13-21(14-16-22)23(28)25(7-2,26(4)5)19-20-11-9-8-10-12-20/h8-16H,6-7,17-19H2,1-5H3
InChIKey
ASWYBBQZAQJKMQ-UHFFFAOYSA-N
Compound name
2-benzyl-2-(dimethylamino)-1-[4-(2-ethyl-2-methyl-1,3-oxazolidin-3-yl)phenyl]butan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

394.26202 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.269296 199.6
[M+Na]+ 417.251238 203.0
[M-H]- 393.254744 209.0
[M+NH4]+ 412.295843 211.7
[M+K]+ 433.225178 200.7
[M+H-H2O]+ 377.259280 190.3
[M+HCOO]- 439.260221 216.9
[M+CH3COO]- 453.275871 228.4
[M+Na-2H]- 415.236686 199.8
[M]+ 394.26147142 201.6
[M]- 394.26256858 201.6
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

patents stripe