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]+ 430.274056 212.0
[M+Na]+ 452.255998 214.5
[M-H]- 428.259504 221.5
[M+NH4]+ 447.300603 221.2
[M+K]+ 468.229938 209.9
[M+H-H2O]+ 412.264040 200.6
[M+HCOO]- 474.264981 232.3
[M+CH3COO]- 488.280631 238.9
[M+Na-2H]- 450.241446 209.4
[M]+ 429.26623142 215.8
[M]- 429.26732858 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