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]+ 344.20088 186.2
[M+Na]+ 366.18282 189.7
[M-H]- 342.18632 195.9
[M+NH4]+ 361.22742 198.7
[M+K]+ 382.15676 184.6
[M+H-H2O]+ 326.19086 175.6
[M+HCOO]- 388.19180 209.2
[M+CH3COO]- 402.20745 219.2
[M+Na-2H]- 364.16827 188.9
[M]+ 343.19305 186.8
[M]- 343.19415 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.