CID 27400

Pizotifen

Structural Information

Molecular Formula
C19H21NS
SMILES
CN1CCC(=C2C3=C(CCC4=CC=CC=C42)SC=C3)CC1
InChI
InChI=1S/C19H21NS/c1-20-11-8-15(9-12-20)19-16-5-3-2-4-14(16)6-7-18-17(19)10-13-21-18/h2-5,10,13H,6-9,11-12H2,1H3
InChIKey
FIADGNVRKBPQEU-UHFFFAOYSA-N
Compound name
1-methyl-4-(6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)piperidine
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

332
References

7950
Patents

295.13947 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.14675 172.0
[M+Na]+ 318.12869 177.5
[M-H]- 294.13219 179.3
[M+NH4]+ 313.17329 189.3
[M+K]+ 334.10263 174.3
[M+H-H2O]+ 278.13673 165.9
[M+HCOO]- 340.13767 183.2
[M+CH3COO]- 354.15332 181.7
[M+Na-2H]- 316.11414 171.0
[M]+ 295.13892 165.9
[M]- 295.14002 165.9
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