CID 3348

Fexofenadine

Structural Information

Molecular Formula
C32H39NO4
SMILES
CC(C)(C1=CC=C(C=C1)C(CCCN2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)O)C(=O)O
InChI
InChI=1S/C32H39NO4/c1-31(2,30(35)36)25-17-15-24(16-18-25)29(34)14-9-21-33-22-19-28(20-23-33)32(37,26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-8,10-13,15-18,28-29,34,37H,9,14,19-23H2,1-2H3,(H,35,36)
InChIKey
RWTNPBWLLIMQHL-UHFFFAOYSA-N
Compound name
2-[4-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]phenyl]-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
10
Annotation Hits

1192
References

66599
Patents

501.2879 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 502.29518 222.6
[M+Na]+ 524.27712 220.5
[M-H]- 500.28062 227.2
[M+NH4]+ 519.32172 223.8
[M+K]+ 540.25106 214.7
[M+H-H2O]+ 484.28516 211.3
[M+HCOO]- 546.28610 228.6
[M+CH3COO]- 560.30175 236.5
[M+Na-2H]- 522.26257 221.0
[M]+ 501.28735 216.4
[M]- 501.28845 216.4
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.