CID 22621927

4-chloroloratadine

Structural Information

Molecular Formula
C22H22Cl2N2O2
SMILES
CCOC(=O)N1CCC(=C2C3=C(CCC4=C(C=CN=C42)Cl)C=C(C=C3)Cl)CC1
InChI
InChI=1S/C22H22Cl2N2O2/c1-2-28-22(27)26-11-8-14(9-12-26)20-17-6-4-16(23)13-15(17)3-5-18-19(24)7-10-25-21(18)20/h4,6-7,10,13H,2-3,5,8-9,11-12H2,1H3
InChIKey
LOTMYBFPXGPIDD-UHFFFAOYSA-N
Compound name
ethyl 4-(7,13-dichloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-2-ylidene)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

416.10583 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.11311 193.8
[M+Na]+ 439.09505 207.3
[M+NH4]+ 434.13965 201.3
[M+K]+ 455.06899 199.1
[M-H]- 415.09855 197.3
[M+Na-2H]- 437.08050 198.6
[M]+ 416.10528 197.3
[M]- 416.10638 197.3
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

patents stripe