CID 45051402

853333-12-7

Structural Information

Molecular Formula
C19H16ClNO4
SMILES
COC1=C(C=C(C=C1)C2=CC=C(O2)C(=O)NC3=CC(=CC=C3)OC)Cl
InChI
InChI=1S/C19H16ClNO4/c1-23-14-5-3-4-13(11-14)21-19(22)18-9-8-16(25-18)12-6-7-17(24-2)15(20)10-12/h3-11H,1-2H3,(H,21,22)
InChIKey
NPTJNWAGZNAVBC-UHFFFAOYSA-N
Compound name
5-(3-chloro-4-methoxyphenyl)-N-(3-methoxyphenyl)furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.07678 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.08406 182.9
[M+Na]+ 380.06600 191.9
[M-H]- 356.06950 194.2
[M+NH4]+ 375.11060 196.7
[M+K]+ 396.03994 188.1
[M+H-H2O]+ 340.07404 175.1
[M+HCOO]- 402.07498 203.2
[M+CH3COO]- 416.09063 213.8
[M+Na-2H]- 378.05145 184.7
[M]+ 357.07623 190.1
[M]- 357.07733 190.1
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.