CID 3852867

868256-19-3

Structural Information

Molecular Formula
C18H20ClNO4
SMILES
COC1=CC=C(C=C1)C(=O)CCNC2=CC(=C(C=C2OC)Cl)OC
InChI
InChI=1S/C18H20ClNO4/c1-22-13-6-4-12(5-7-13)16(21)8-9-20-15-11-17(23-2)14(19)10-18(15)24-3/h4-7,10-11,20H,8-9H2,1-3H3
InChIKey
AAQOYUNGKPPVIC-UHFFFAOYSA-N
Compound name
3-(4-chloro-2,5-dimethoxyanilino)-1-(4-methoxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.1081 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.11538 179.4
[M+Na]+ 372.09732 187.4
[M-H]- 348.10082 186.3
[M+NH4]+ 367.14192 193.4
[M+K]+ 388.07126 183.3
[M+H-H2O]+ 332.10536 171.8
[M+HCOO]- 394.10630 198.9
[M+CH3COO]- 408.12195 215.5
[M+Na-2H]- 370.08277 181.3
[M]+ 349.10755 187.4
[M]- 349.10865 187.4
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.