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]+ 296.20088 172.6
[M+Na]+ 318.18282 174.2
[M-H]- 294.18632 178.6
[M+NH4]+ 313.22742 184.9
[M+K]+ 334.15676 169.6
[M+H-H2O]+ 278.19086 161.9
[M+HCOO]- 340.19180 189.6
[M+CH3COO]- 354.20745 181.3
[M+Na-2H]- 316.16827 175.5
[M]+ 295.19305 167.7
[M]- 295.19415 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.