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
2
Annotation Hits

0
References

1151
Patents

341.1991 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.206376 183.8
[M+Na]+ 364.188318 188.6
[M-H]- 340.191824 191.4
[M+NH4]+ 359.232923 197.4
[M+K]+ 380.162258 186.8
[M+H-H2O]+ 324.196360 175.1
[M+HCOO]- 386.197301 205.6
[M+CH3COO]- 400.212951 220.1
[M+Na-2H]- 362.173766 186.1
[M]+ 341.19855142 189.2
[M]- 341.19964858 189.2
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

patents stripe