CID 42553

Sequifenadine

Structural Information

Molecular Formula
C22H27NO
SMILES
CC1=CC=CC=C1C(C2CN3CCC2CC3)(C4=CC=CC=C4C)O
InChI
InChI=1S/C22H27NO/c1-16-7-3-5-9-19(16)22(24,20-10-6-4-8-17(20)2)21-15-23-13-11-18(21)12-14-23/h3-10,18,21,24H,11-15H2,1-2H3
InChIKey
OXDOWGVJMITMJL-UHFFFAOYSA-N
Compound name
1-azabicyclo[2.2.2]octan-3-yl-bis(2-methylphenyl)methanol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

11
References

48
Patents

321.20926 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.21654 175.2
[M+Na]+ 344.19848 188.8
[M+NH4]+ 339.24308 186.2
[M+K]+ 360.17242 179.6
[M-H]- 320.20198 177.9
[M+Na-2H]- 342.18393 178.0
[M]+ 321.20871 178.2
[M]- 321.20981 178.2
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