CID 14554138

N-formyl desloratadine

Structural Information

Molecular Formula
C20H19ClN2O
SMILES
C1CC2=C(C=CC(=C2)Cl)C(=C3CCN(CC3)C=O)C4=C1C=CC=N4
InChI
InChI=1S/C20H19ClN2O/c21-17-5-6-18-16(12-17)4-3-15-2-1-9-22-20(15)19(18)14-7-10-23(13-24)11-8-14/h1-2,5-6,9,12-13H,3-4,7-8,10-11H2
InChIKey
QGLIUOLEDZMNSF-UHFFFAOYSA-N
Compound name
4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidine-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

72
Patents

338.1186 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.12588 180.0
[M+Na]+ 361.10782 193.9
[M+NH4]+ 356.15242 188.4
[M+K]+ 377.08176 185.2
[M-H]- 337.11132 184.4
[M+Na-2H]- 359.09327 186.2
[M]+ 338.11805 183.6
[M]- 338.11915 183.6
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