CID 216042

37015-90-0

Structural Information

Molecular Formula
C23H31N
SMILES
CC(C)(C)CN1CCC(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C23H31N/c1-23(2,3)18-24-16-14-21(15-17-24)22(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-13,21-22H,14-18H2,1-3H3
InChIKey
HMULGNGCDGWVIS-UHFFFAOYSA-N
Compound name
4-benzhydryl-1-(2,2-dimethylpropyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.24564 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.25292 182.3
[M+Na]+ 344.23486 184.3
[M-H]- 320.23836 188.6
[M+NH4]+ 339.27946 194.3
[M+K]+ 360.20880 178.9
[M+H-H2O]+ 304.24290 172.2
[M+HCOO]- 366.24384 196.6
[M+CH3COO]- 380.25949 210.2
[M+Na-2H]- 342.22031 183.7
[M]+ 321.24509 177.1
[M]- 321.24619 177.1
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.