CID 3049637

1-propanone, 1-(4-(2-(diethylamino)ethoxy)-3,5-dimethylphenyl)-3,3-diphenyl-, hydrochloride

Structural Information

Molecular Formula
C29H35NO2
SMILES
CCN(CC)CCOC1=C(C=C(C=C1C)C(=O)CC(C2=CC=CC=C2)C3=CC=CC=C3)C
InChI
InChI=1S/C29H35NO2/c1-5-30(6-2)17-18-32-29-22(3)19-26(20-23(29)4)28(31)21-27(24-13-9-7-10-14-24)25-15-11-8-12-16-25/h7-16,19-20,27H,5-6,17-18,21H2,1-4H3
InChIKey
DJNQVHQGFIHCRL-UHFFFAOYSA-N
Compound name
1-[4-[2-(diethylamino)ethoxy]-3,5-dimethylphenyl]-3,3-diphenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

429.26678 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.27406 212.0
[M+Na]+ 452.25600 214.5
[M-H]- 428.25950 221.5
[M+NH4]+ 447.30060 221.2
[M+K]+ 468.22994 209.9
[M+H-H2O]+ 412.26404 200.6
[M+HCOO]- 474.26498 232.3
[M+CH3COO]- 488.28063 238.9
[M+Na-2H]- 450.24145 209.4
[M]+ 429.26623 215.8
[M]- 429.26733 215.8
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