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]+ 395.26930 199.6
[M+Na]+ 417.25124 203.0
[M-H]- 393.25474 209.0
[M+NH4]+ 412.29584 211.7
[M+K]+ 433.22518 200.7
[M+H-H2O]+ 377.25928 190.3
[M+HCOO]- 439.26022 216.9
[M+CH3COO]- 453.27587 228.4
[M+Na-2H]- 415.23669 199.8
[M]+ 394.26147 201.6
[M]- 394.26257 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