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]+ 358.084056 182.9
[M+Na]+ 380.065998 191.9
[M-H]- 356.069504 194.2
[M+NH4]+ 375.110603 196.7
[M+K]+ 396.039938 188.1
[M+H-H2O]+ 340.074040 175.1
[M+HCOO]- 402.074981 203.2
[M+CH3COO]- 416.090631 213.8
[M+Na-2H]- 378.051446 184.7
[M]+ 357.07623142 190.1
[M]- 357.07732858 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.