CID 411828

Perastine

Structural Information

Molecular Formula
C20H25NO
SMILES
C1CCN(CC1)CCOC(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C20H25NO/c1-4-10-18(11-5-1)20(19-12-6-2-7-13-19)22-17-16-21-14-8-3-9-15-21/h1-2,4-7,10-13,20H,3,8-9,14-17H2
InChIKey
ZVWXNGJQZCPYLK-UHFFFAOYSA-N
Compound name
1-(2-benzhydryloxyethyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

94
Patents

295.1936 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.200876 172.6
[M+Na]+ 318.182818 174.2
[M-H]- 294.186324 178.6
[M+NH4]+ 313.227423 184.9
[M+K]+ 334.156758 169.6
[M+H-H2O]+ 278.190860 161.9
[M+HCOO]- 340.191801 189.6
[M+CH3COO]- 354.207451 181.3
[M+Na-2H]- 316.168266 175.5
[M]+ 295.19305142 167.7
[M]- 295.19414858 167.7
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

No patent data available for this compound.