CID 45051458

853356-04-4

Structural Information

Molecular Formula
C21H18ClNO3
SMILES
COC1=CC=C(C=C1)CNC(=O)/C=C/C2=CC=C(O2)C3=CC=CC=C3Cl
InChI
InChI=1S/C21H18ClNO3/c1-25-16-8-6-15(7-9-16)14-23-21(24)13-11-17-10-12-20(26-17)18-4-2-3-5-19(18)22/h2-13H,14H2,1H3,(H,23,24)/b13-11+
InChIKey
HQLSSBFEYRVNAT-ACCUITESSA-N
Compound name
(E)-3-[5-(2-chlorophenyl)furan-2-yl]-N-[(4-methoxyphenyl)methyl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.09753 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.10481 188.0
[M+Na]+ 390.08675 202.8
[M+NH4]+ 385.13135 195.6
[M+K]+ 406.06069 195.7
[M-H]- 366.09025 195.3
[M+Na-2H]- 388.07220 196.5
[M]+ 367.09698 192.5
[M]- 367.09808 192.5
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.