CID 3064602

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

Structural Information

Molecular Formula
C24H25NO
SMILES
CC1=CC=C(C=C1)C(=O)CCN(CC2=CC=CC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C24H25NO/c1-20-12-14-23(15-13-20)24(26)16-17-25(18-21-8-4-2-5-9-21)19-22-10-6-3-7-11-22/h2-15H,16-19H2,1H3
InChIKey
HWBRZICOKPIQCG-UHFFFAOYSA-N
Compound name
3-(dibenzylamino)-1-(4-methylphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.1936 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.200876 186.2
[M+Na]+ 366.182818 189.7
[M-H]- 342.186324 195.9
[M+NH4]+ 361.227423 198.7
[M+K]+ 382.156758 184.6
[M+H-H2O]+ 326.190860 175.6
[M+HCOO]- 388.191801 209.2
[M+CH3COO]- 402.207451 219.2
[M+Na-2H]- 364.168266 188.9
[M]+ 343.19305142 186.8
[M]- 343.19414858 186.8
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

No patent data available for this compound.