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
3
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

literature stripe

Patent stripe

patents stripe