CID 118236

Piperidine, 1-cyclopropylmethyl-4-diphenylmethyl-, hydrochloride

Structural Information

Molecular Formula
C22H27N
SMILES
C1CC1CN2CCC(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C22H27N/c1-3-7-19(8-4-1)22(20-9-5-2-6-10-20)21-13-15-23(16-14-21)17-18-11-12-18/h1-10,18,21-22H,11-17H2
InChIKey
BDSACXIREPQQAU-UHFFFAOYSA-N
Compound name
4-benzhydryl-1-(cyclopropylmethyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.21436 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.221636 172.1
[M+Na]+ 328.203578 175.9
[M-H]- 304.207084 181.6
[M+NH4]+ 323.248183 179.8
[M+K]+ 344.177518 170.8
[M+H-H2O]+ 288.211620 161.6
[M+HCOO]- 350.212561 189.6
[M+CH3COO]- 364.228211 180.9
[M+Na-2H]- 326.189026 174.0
[M]+ 305.21381142 168.0
[M]- 305.21490858 168.0
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.