CID 45050994

3-(3-chloro-4-methoxyphenyl)-n-(2,5-dimethoxyphenyl)propanamide

Structural Information

Molecular Formula
C18H20ClNO4
SMILES
COC1=CC(=C(C=C1)OC)NC(=O)CCC2=CC(=C(C=C2)OC)Cl
InChI
InChI=1S/C18H20ClNO4/c1-22-13-6-8-17(24-3)15(11-13)20-18(21)9-5-12-4-7-16(23-2)14(19)10-12/h4,6-8,10-11H,5,9H2,1-3H3,(H,20,21)
InChIKey
OTKAGMOPYOVDII-UHFFFAOYSA-N
Compound name
3-(3-chloro-4-methoxyphenyl)-N-(2,5-dimethoxyphenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.1081 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.11538 179.7
[M+Na]+ 372.09732 187.8
[M-H]- 348.10082 186.7
[M+NH4]+ 367.14192 193.8
[M+K]+ 388.07126 183.7
[M+H-H2O]+ 332.10536 172.1
[M+HCOO]- 394.10630 199.2
[M+CH3COO]- 408.12195 214.9
[M+Na-2H]- 370.08277 181.5
[M]+ 349.10755 187.6
[M]- 349.10865 187.6
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.