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 189.2
[M+Na]+ 390.08675 196.9
[M-H]- 366.09025 199.7
[M+NH4]+ 385.13135 202.4
[M+K]+ 406.06069 191.3
[M+H-H2O]+ 350.09479 181.0
[M+HCOO]- 412.09573 208.8
[M+CH3COO]- 426.11138 214.9
[M+Na-2H]- 388.07220 190.4
[M]+ 367.09698 194.4
[M]- 367.09808 194.4
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.