CID 3064598

1-propanone, 3-(bis(phenylmethyl)amino)-1-(4-methoxyphenyl)-, hydrochloride

Structural Information

Molecular Formula
C24H25NO2
SMILES
COC1=CC=C(C=C1)C(=O)CCN(CC2=CC=CC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C24H25NO2/c1-27-23-14-12-22(13-15-23)24(26)16-17-25(18-20-8-4-2-5-9-20)19-21-10-6-3-7-11-21/h2-15H,16-19H2,1H3
InChIKey
PZSIUEPXPJJKHJ-UHFFFAOYSA-N
Compound name
3-(dibenzylamino)-1-(4-methoxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.18854 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.19582 189.7
[M+Na]+ 382.17776 192.9
[M-H]- 358.18126 199.3
[M+NH4]+ 377.22236 201.3
[M+K]+ 398.15170 188.6
[M+H-H2O]+ 342.18580 178.8
[M+HCOO]- 404.18674 212.8
[M+CH3COO]- 418.20239 221.2
[M+Na-2H]- 380.16321 192.3
[M]+ 359.18799 191.6
[M]- 359.18909 191.6
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

No patent data available for this compound.