CID 124087

Desloratadine

Structural Information

Molecular Formula
C19H19ClN2
SMILES
C1CC2=C(C=CC(=C2)Cl)C(=C3CCNCC3)C4=C1C=CC=N4
InChI
InChI=1S/C19H19ClN2/c20-16-5-6-17-15(12-16)4-3-14-2-1-9-22-19(14)18(17)13-7-10-21-11-8-13/h1-2,5-6,9,12,21H,3-4,7-8,10-11H2
InChIKey
JAUOIFJMECXRGI-UHFFFAOYSA-N
Compound name
13-chloro-2-piperidin-4-ylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

704
References

29592
Patents

310.1237 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.130976 173.0
[M+Na]+ 333.112918 179.8
[M-H]- 309.116424 176.9
[M+NH4]+ 328.157523 186.3
[M+K]+ 349.086858 174.8
[M+H-H2O]+ 293.120960 164.1
[M+HCOO]- 355.121901 181.1
[M+CH3COO]- 369.137551 181.5
[M+Na-2H]- 331.098366 176.8
[M]+ 310.12315142 164.6
[M]- 310.12424858 164.6
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