CID 45051054

853348-44-4

Structural Information

Molecular Formula
C20H15Cl2NO3
SMILES
COC1=C(C=C(C=C1)Cl)NC(=O)/C=C/C2=CC=C(O2)C3=CC=CC=C3Cl
InChI
InChI=1S/C20H15Cl2NO3/c1-25-19-9-6-13(21)12-17(19)23-20(24)11-8-14-7-10-18(26-14)15-4-2-3-5-16(15)22/h2-12H,1H3,(H,23,24)/b11-8+
InChIKey
MSFASECOKCPQBT-DHZHZOJOSA-N
Compound name
(E)-N-(5-chloro-2-methoxyphenyl)-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.0429 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.05018 192.0
[M+Na]+ 410.03212 201.4
[M-H]- 386.03562 202.2
[M+NH4]+ 405.07672 205.2
[M+K]+ 426.00606 194.9
[M+H-H2O]+ 370.04016 184.7
[M+HCOO]- 432.04110 206.7
[M+CH3COO]- 446.05675 217.2
[M+Na-2H]- 408.01757 192.1
[M]+ 387.04235 198.7
[M]- 387.04345 198.7
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.