CID 3064600

105101-10-8

Structural Information

Molecular Formula
C23H22ClNO
SMILES
C1=CC=C(C=C1)CN(CCC(=O)C2=CC=C(C=C2)Cl)CC3=CC=CC=C3
InChI
InChI=1S/C23H22ClNO/c24-22-13-11-21(12-14-22)23(26)15-16-25(17-19-7-3-1-4-8-19)18-20-9-5-2-6-10-20/h1-14H,15-18H2
InChIKey
WNXLTNAWPLNTDY-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-3-(dibenzylamino)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.13898 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.14626 188.8
[M+Na]+ 386.12820 193.6
[M-H]- 362.13170 198.4
[M+NH4]+ 381.17280 201.4
[M+K]+ 402.10214 187.0
[M+H-H2O]+ 346.13624 178.9
[M+HCOO]- 408.13718 207.6
[M+CH3COO]- 422.15283 219.7
[M+Na-2H]- 384.11365 191.5
[M]+ 363.13843 191.6
[M]- 363.13953 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.