CID 9805485

Hydroxyterfenadine

Structural Information

Molecular Formula
C32H41NO3
SMILES
CC(C)(CO)C1=CC=C(C=C1)C(CCCN2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)O
InChI
InChI=1S/C32H41NO3/c1-31(2,24-34)26-17-15-25(16-18-26)30(35)14-9-21-33-22-19-29(20-23-33)32(36,27-10-5-3-6-11-27)28-12-7-4-8-13-28/h3-8,10-13,15-18,29-30,34-36H,9,14,19-24H2,1-2H3
InChIKey
ZIQKFOOBIMENJF-UHFFFAOYSA-N
Compound name
4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-1-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]butan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

163
Patents

487.30865 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 488.31593 221.9
[M+Na]+ 510.29787 220.2
[M-H]- 486.30137 226.4
[M+NH4]+ 505.34247 224.0
[M+K]+ 526.27181 213.4
[M+H-H2O]+ 470.30591 210.5
[M+HCOO]- 532.30685 228.5
[M+CH3COO]- 546.32250 234.1
[M+Na-2H]- 508.28332 221.0
[M]+ 487.30810 215.6
[M]- 487.30920 215.6
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.