CID 125344061

104953-06-2

Structural Information

Molecular Formula
C32H39NO
SMILES
CC(C)(C)C1=CC=C(C=C1)/C=C/CCN2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O
InChI
InChI=1S/C32H39NO/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/h4-10,12-20,30,34H,11,21-25H2,1-3H3/b12-10+
InChIKey
LQTTZRLNHNLXQW-ZRDIBKRKSA-N
Compound name
[1-[(E)-4-(4-tert-butylphenyl)but-3-enyl]piperidin-4-yl]-diphenylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

453.30316 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.31044 218.0
[M+Na]+ 476.29238 218.5
[M-H]- 452.29588 225.2
[M+NH4]+ 471.33698 223.3
[M+K]+ 492.26632 210.2
[M+H-H2O]+ 436.30042 205.9
[M+HCOO]- 498.30136 228.4
[M+CH3COO]- 512.31701 231.6
[M+Na-2H]- 474.27783 218.1
[M]+ 453.30261 212.1
[M]- 453.30371 212.1
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.