CID 45051442

853333-75-2

Structural Information

Molecular Formula
C21H19Cl2NO4
SMILES
COC1=C(C=C(C=C1)CCNC(=O)C2=CC=C(O2)C3=CC(=C(C=C3)OC)Cl)Cl
InChI
InChI=1S/C21H19Cl2NO4/c1-26-18-5-3-13(11-15(18)22)9-10-24-21(25)20-8-7-17(28-20)14-4-6-19(27-2)16(23)12-14/h3-8,11-12H,9-10H2,1-2H3,(H,24,25)
InChIKey
XNTSLVAWUXIZMD-UHFFFAOYSA-N
Compound name
5-(3-chloro-4-methoxyphenyl)-N-[2-(3-chloro-4-methoxyphenyl)ethyl]furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.06912 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.07640 199.1
[M+Na]+ 442.05834 208.4
[M-H]- 418.06184 209.5
[M+NH4]+ 437.10294 211.2
[M+K]+ 458.03228 203.2
[M+H-H2O]+ 402.06638 191.7
[M+HCOO]- 464.06732 213.5
[M+CH3COO]- 478.08297 224.8
[M+Na-2H]- 440.04379 198.3
[M]+ 419.06857 208.7
[M]- 419.06967 208.7
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.