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]+ 362.17508 188.0
[M+Na]+ 384.15702 193.4
[M-H]- 360.16052 197.3
[M+NH4]+ 379.20162 199.5
[M+K]+ 400.13096 188.7
[M+H-H2O]+ 344.16506 177.6
[M+HCOO]- 406.16600 211.2
[M+CH3COO]- 420.18165 219.4
[M+Na-2H]- 382.14247 190.6
[M]+ 361.16725 190.7
[M]- 361.16835 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.