CID 3427705

882748-80-3

Structural Information

Molecular Formula
C23H23NO3
SMILES
COC1=CC(=C(C=C1)NCCC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)OC
InChI
InChI=1S/C23H23NO3/c1-26-20-12-13-21(23(16-20)27-2)24-15-14-22(25)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-13,16,24H,14-15H2,1-2H3
InChIKey
GCUYVKLQECQTRT-UHFFFAOYSA-N
Compound name
3-(2,4-dimethoxyanilino)-1-(4-phenylphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.1678 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.175076 188.0
[M+Na]+ 384.157018 193.4
[M-H]- 360.160524 197.3
[M+NH4]+ 379.201623 199.5
[M+K]+ 400.130958 188.7
[M+H-H2O]+ 344.165060 177.6
[M+HCOO]- 406.166001 211.2
[M+CH3COO]- 420.181651 219.4
[M+Na-2H]- 382.142466 190.6
[M]+ 361.16725142 190.7
[M]- 361.16834858 190.7
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.