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
1
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]+ 395.26930 198.5
[M+Na]+ 417.25124 209.6
[M+NH4]+ 412.29584 206.6
[M+K]+ 433.22518 203.0
[M-H]- 393.25474 204.8
[M+Na-2H]- 415.23669 206.8
[M]+ 394.26147 202.1
[M]- 394.26257 202.1
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