CID 3829950

763120-59-8

Structural Information

Molecular Formula
C19H23NO3
SMILES
CC1=C(C=C(C=C1)NCCC(=O)C2=CC(=C(C=C2)OC)OC)C
InChI
InChI=1S/C19H23NO3/c1-13-5-7-16(11-14(13)2)20-10-9-17(21)15-6-8-18(22-3)19(12-15)23-4/h5-8,11-12,20H,9-10H2,1-4H3
InChIKey
STZDFUSNRBKJKP-UHFFFAOYSA-N
Compound name
1-(3,4-dimethoxyphenyl)-3-(3,4-dimethylanilino)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.1678 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.175076 174.9
[M+Na]+ 336.157018 181.9
[M-H]- 312.160524 181.9
[M+NH4]+ 331.201623 189.6
[M+K]+ 352.130958 178.7
[M+H-H2O]+ 296.165060 166.5
[M+HCOO]- 358.166001 198.4
[M+CH3COO]- 372.181651 212.8
[M+Na-2H]- 334.142466 176.6
[M]+ 313.16725142 179.6
[M]- 313.16834858 179.6
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.