CID 16038374

944261-79-4

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

63
References

31
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

literature stripe

Patent stripe

patents stripe