CID 2060428

477319-10-1

Structural Information

Molecular Formula
C18H21NO2
SMILES
CC1=C(C=C(C=C1)NCCC(=O)C2=CC=C(C=C2)OC)C
InChI
InChI=1S/C18H21NO2/c1-13-4-7-16(12-14(13)2)19-11-10-18(20)15-5-8-17(21-3)9-6-15/h4-9,12,19H,10-11H2,1-3H3
InChIKey
MWRDHJICUWNRPU-UHFFFAOYSA-N
Compound name
3-(3,4-dimethylanilino)-1-(4-methoxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.15723 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.16451 167.4
[M+Na]+ 306.14645 174.1
[M-H]- 282.14995 174.2
[M+NH4]+ 301.19105 183.1
[M+K]+ 322.12039 170.4
[M+H-H2O]+ 266.15449 159.3
[M+HCOO]- 328.15543 191.1
[M+CH3COO]- 342.17108 206.5
[M+Na-2H]- 304.13190 170.3
[M]+ 283.15668 169.9
[M]- 283.15778 169.9
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.