CID 3070004

85603-33-4

Structural Information

Molecular Formula
C20H21NO2
SMILES
CN(C)CC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)OCC#C
InChI
InChI=1S/C20H21NO2/c1-4-15-23-20(19(22)16-21(2)3,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h1,5-14H,15-16H2,2-3H3
InChIKey
JEQVIZRHKILKOY-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-1,1-diphenyl-1-prop-2-ynoxypropan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.15723 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.16451 181.3
[M+Na]+ 330.14645 188.0
[M-H]- 306.14995 185.6
[M+NH4]+ 325.19105 193.6
[M+K]+ 346.12039 182.5
[M+H-H2O]+ 290.15449 166.7
[M+HCOO]- 352.15543 197.1
[M+CH3COO]- 366.17108 216.0
[M+Na-2H]- 328.13190 183.3
[M]+ 307.15668 177.2
[M]- 307.15778 177.2
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

No patent data available for this compound.