CID 5106662

3-(4-methoxyanilino)-1-(4-methoxyphenyl)-1-propanone

Structural Information

Molecular Formula
C17H19NO3
SMILES
COC1=CC=C(C=C1)C(=O)CCNC2=CC=C(C=C2)OC
InChI
InChI=1S/C17H19NO3/c1-20-15-7-3-13(4-8-15)17(19)11-12-18-14-5-9-16(21-2)10-6-14/h3-10,18H,11-12H2,1-2H3
InChIKey
WYJDYAUWPBPGPZ-UHFFFAOYSA-N
Compound name
3-(4-methoxyanilino)-1-(4-methoxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.1365 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.14378 166.2
[M+Na]+ 308.12572 172.2
[M-H]- 284.12922 172.7
[M+NH4]+ 303.17032 181.4
[M+K]+ 324.09966 169.2
[M+H-H2O]+ 268.13376 157.8
[M+HCOO]- 330.13470 190.4
[M+CH3COO]- 344.15035 204.4
[M+Na-2H]- 306.11117 170.4
[M]+ 285.13595 169.3
[M]- 285.13705 169.3
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.