CID 91381

25287-80-3

Structural Information

Molecular Formula
C19H23NO
SMILES
CCN(CC)CC(C1=CC=CC=C1)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C19H23NO/c1-3-20(4-2)15-18(16-11-7-5-8-12-16)19(21)17-13-9-6-10-14-17/h5-14,18H,3-4,15H2,1-2H3
InChIKey
MSKFOYBVZXTIDV-UHFFFAOYSA-N
Compound name
3-(diethylamino)-1,2-diphenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

281.17798 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.18526 169.9
[M+Na]+ 304.16720 173.3
[M-H]- 280.17070 176.8
[M+NH4]+ 299.21180 185.3
[M+K]+ 320.14114 170.4
[M+H-H2O]+ 264.17524 161.1
[M+HCOO]- 326.17618 192.5
[M+CH3COO]- 340.19183 208.2
[M+Na-2H]- 302.15265 172.4
[M]+ 281.17743 170.7
[M]- 281.17853 170.7
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