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]+ 314.17508 174.9
[M+Na]+ 336.15702 181.9
[M-H]- 312.16052 181.9
[M+NH4]+ 331.20162 189.6
[M+K]+ 352.13096 178.7
[M+H-H2O]+ 296.16506 166.5
[M+HCOO]- 358.16600 198.4
[M+CH3COO]- 372.18165 212.8
[M+Na-2H]- 334.14247 176.6
[M]+ 313.16725 179.6
[M]- 313.16835 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.