CID 22184240

1-butanone, 1-(3,4-dimethoxyphenyl)-2-(dimethylamino)-2-(phenylmethyl)-

Structural Information

Molecular Formula
C21H27NO3
SMILES
CCC(CC1=CC=CC=C1)(C(=O)C2=CC(=C(C=C2)OC)OC)N(C)C
InChI
InChI=1S/C21H27NO3/c1-6-21(22(2)3,15-16-10-8-7-9-11-16)20(23)17-12-13-18(24-4)19(14-17)25-5/h7-14H,6,15H2,1-5H3
InChIKey
OTMMWFBAUBABTM-UHFFFAOYSA-N
Compound name
2-benzyl-1-(3,4-dimethoxyphenyl)-2-(dimethylamino)butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1250
Patents

341.1991 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.20638 183.7
[M+Na]+ 364.18832 195.8
[M+NH4]+ 359.23292 190.5
[M+K]+ 380.16226 189.3
[M-H]- 340.19182 187.6
[M+Na-2H]- 362.17377 191.3
[M]+ 341.19855 186.6
[M]- 341.19965 186.6
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