CID 24212559

853312-57-9

Structural Information

Molecular Formula
C21H20ClNO4
SMILES
COC1=CC(=C(C=C1)NC(=O)CCC2=CC=C(O2)C3=CC(=CC=C3)Cl)OC
InChI
InChI=1S/C21H20ClNO4/c1-25-17-6-9-18(20(13-17)26-2)23-21(24)11-8-16-7-10-19(27-16)14-4-3-5-15(22)12-14/h3-7,9-10,12-13H,8,11H2,1-2H3,(H,23,24)
InChIKey
AWOVPVNHHJEYHQ-UHFFFAOYSA-N
Compound name
3-[5-(3-chlorophenyl)furan-2-yl]-N-(2,4-dimethoxyphenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.1081 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.11538 192.3
[M+Na]+ 408.09732 200.3
[M-H]- 384.10082 203.1
[M+NH4]+ 403.14192 204.9
[M+K]+ 424.07126 196.1
[M+H-H2O]+ 368.10536 184.1
[M+HCOO]- 430.10630 211.8
[M+CH3COO]- 444.12195 219.6
[M+Na-2H]- 406.08277 192.9
[M]+ 385.10755 200.1
[M]- 385.10865 200.1
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.