CID 2011756

638156-11-3

Structural Information

Molecular Formula
C22H21ClN2O3
SMILES
C1COCCN1CC2=CC=C(C=C2)NC(=O)C3=CC=C(O3)C4=CC(=CC=C4)Cl
InChI
InChI=1S/C22H21ClN2O3/c23-18-3-1-2-17(14-18)20-8-9-21(28-20)22(26)24-19-6-4-16(5-7-19)15-25-10-12-27-13-11-25/h1-9,14H,10-13,15H2,(H,24,26)
InChIKey
XQJWTJLJEYIUDZ-UHFFFAOYSA-N
Compound name
5-(3-chlorophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

4
Patents

396.12408 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.13136 196.3
[M+Na]+ 419.11330 201.5
[M-H]- 395.11680 208.0
[M+NH4]+ 414.15790 204.6
[M+K]+ 435.08724 197.3
[M+H-H2O]+ 379.12134 186.1
[M+HCOO]- 441.12228 209.8
[M+CH3COO]- 455.13793 205.3
[M+Na-2H]- 417.09875 196.5
[M]+ 396.12353 196.8
[M]- 396.12463 196.8
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