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

3
Patents

293.21436 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.22164 174.4
[M+Na]+ 316.20358 177.8
[M-H]- 292.20708 181.2
[M+NH4]+ 311.24818 189.4
[M+K]+ 332.17752 172.7
[M+H-H2O]+ 276.21162 164.3
[M+HCOO]- 338.21256 191.1
[M+CH3COO]- 352.22821 183.7
[M+Na-2H]- 314.18903 177.0
[M]+ 293.21381 169.3
[M]- 293.21491 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