CID 10321802

147158-67-6

Structural Information

Molecular Formula
C32H41NO
SMILES
CC(C)(C)C1=CC=C(C=C1)CCCCN2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O
InChI
InChI=1S/C32H41NO/c1-31(2,3)27-19-17-26(18-20-27)12-10-11-23-33-24-21-30(22-25-33)32(34,28-13-6-4-7-14-28)29-15-8-5-9-16-29/h4-9,13-20,30,34H,10-12,21-25H2,1-3H3
InChIKey
XMJDYWKGTJZJPI-UHFFFAOYSA-N
Compound name
[1-[4-(4-tert-butylphenyl)butyl]piperidin-4-yl]-diphenylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

455.31882 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.32610 218.6
[M+Na]+ 478.30804 218.7
[M-H]- 454.31154 225.7
[M+NH4]+ 473.35264 223.8
[M+K]+ 494.28198 211.0
[M+H-H2O]+ 438.31608 206.4
[M+HCOO]- 500.31702 228.8
[M+CH3COO]- 514.33267 232.9
[M+Na-2H]- 476.29349 218.7
[M]+ 455.31827 213.4
[M]- 455.31937 213.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe