CID 215604

35879-48-2

Structural Information

Molecular Formula
C21H27N
SMILES
CCC(C)N1CCC(CC1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C21H27N/c1-3-18(2)22-16-14-21(15-17-22,19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-13,18H,3,14-17H2,1-2H3
InChIKey
HMQGLWXGGPUQAV-UHFFFAOYSA-N
Compound name
1-butan-2-yl-4,4-diphenylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

293.21436 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.221636 174.4
[M+Na]+ 316.203578 177.8
[M-H]- 292.207084 181.2
[M+NH4]+ 311.248183 189.4
[M+K]+ 332.177518 172.7
[M+H-H2O]+ 276.211620 164.3
[M+HCOO]- 338.212561 191.1
[M+CH3COO]- 352.228211 183.7
[M+Na-2H]- 314.189026 177.0
[M]+ 293.21381142 169.3
[M]- 293.21490858 169.3
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

patents stripe