CID 9861546

1-(4-(2-dimethylamino)-2-ethoxyphenyl butanone

Structural Information

Molecular Formula
C20H25NO2
SMILES
CCC(C1=CC=CC=C1)C(=O)C2=CC=C(C=C2)OCCN(C)C
InChI
InChI=1S/C20H25NO2/c1-4-19(16-8-6-5-7-9-16)20(22)17-10-12-18(13-11-17)23-15-14-21(2)3/h5-13,19H,4,14-15H2,1-3H3
InChIKey
OBBFYFBJWYPOQQ-UHFFFAOYSA-N
Compound name
1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

86
Patents

311.18854 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.19582 177.5
[M+Na]+ 334.17776 181.2
[M-H]- 310.18126 184.6
[M+NH4]+ 329.22236 191.9
[M+K]+ 350.15170 178.8
[M+H-H2O]+ 294.18580 168.5
[M+HCOO]- 356.18674 199.9
[M+CH3COO]- 370.20239 214.3
[M+Na-2H]- 332.16321 178.7
[M]+ 311.18799 180.4
[M]- 311.18909 180.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe