CID 3021768

Piperidine, 1-(1,1-dimethylpropyl)-4,4-diphenyl-, hydrochloride

Structural Information

Molecular Formula
C22H29N
SMILES
CCC(C)(C)N1CCC(CC1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C22H29N/c1-4-21(2,3)23-17-15-22(16-18-23,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14H,4,15-18H2,1-3H3
InChIKey
UNGANMCZVARHBD-UHFFFAOYSA-N
Compound name
1-(2-methylbutan-2-yl)-4,4-diphenylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.23 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.23728 178.6
[M+Na]+ 330.21922 182.4
[M-H]- 306.22272 185.4
[M+NH4]+ 325.26382 193.3
[M+K]+ 346.19316 177.1
[M+H-H2O]+ 290.22726 168.8
[M+HCOO]- 352.22820 194.4
[M+CH3COO]- 366.24385 206.6
[M+Na-2H]- 328.20467 182.6
[M]+ 307.22945 174.0
[M]- 307.23055 174.0
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

patents stripe