CID 3370654

477319-07-6

Structural Information

Molecular Formula
C23H23NO
SMILES
CC1=C(C=C(C=C1)NCCC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)C
InChI
InChI=1S/C23H23NO/c1-17-8-13-22(16-18(17)2)24-15-14-23(25)21-11-9-20(10-12-21)19-6-4-3-5-7-19/h3-13,16,24H,14-15H2,1-2H3
InChIKey
SUHDOPKAQWENOB-UHFFFAOYSA-N
Compound name
3-(3,4-dimethylanilino)-1-(4-phenylphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.17798 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.185256 181.3
[M+Na]+ 352.167198 187.1
[M-H]- 328.170704 190.6
[M+NH4]+ 347.211803 194.4
[M+K]+ 368.141138 181.0
[M+H-H2O]+ 312.175240 171.6
[M+HCOO]- 374.176181 204.2
[M+CH3COO]- 388.191831 215.3
[M+Na-2H]- 350.152646 183.9
[M]+ 329.17743142 181.3
[M]- 329.17852858 181.3
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.