CID 59872275

Dehydroxy terfenadine

Structural Information

Molecular Formula
C32H41NO
SMILES
CC(C)(C)C1=CC=C(C=C1)C(CCCN2CCC(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)O
InChI
InChI=1S/C32H41NO/c1-32(2,3)29-18-16-25(17-19-29)30(34)15-10-22-33-23-20-28(21-24-33)31(26-11-6-4-7-12-26)27-13-8-5-9-14-27/h4-9,11-14,16-19,28,30-31,34H,10,15,20-24H2,1-3H3
InChIKey
JKSNSYGKAXLLAM-UHFFFAOYSA-N
Compound name
4-(4-benzhydrylpiperidin-1-yl)-1-(4-tert-butylphenyl)butan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

455.31882 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.32610 221.3
[M+Na]+ 478.30804 235.0
[M+NH4]+ 473.35264 228.8
[M+K]+ 494.28198 225.1
[M-H]- 454.31154 229.1
[M+Na-2H]- 476.29349 231.1
[M]+ 455.31827 225.7
[M]- 455.31937 225.7
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