CID 22892408

Cholestyramine

Structural Information

Molecular Formula
C22H32N
SMILES
CCC(CC(C)C1=CC=CC=C1)C2=CC=C(C=C2)C[N+](C)(C)C
InChI
InChI=1S/C22H32N/c1-6-20(16-18(2)21-10-8-7-9-11-21)22-14-12-19(13-15-22)17-23(3,4)5/h7-15,18,20H,6,16-17H2,1-5H3/q+1
InChIKey
BSMYVBKDBCUVBF-UHFFFAOYSA-N
Compound name
trimethyl-[[4-(5-phenylhexan-3-yl)phenyl]methyl]azanium
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

2689
References

10
Patents

310.25348 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.26076 179.6
[M+Na]+ 333.24270 182.8
[M-H]- 309.24620 186.7
[M+NH4]+ 328.28730 194.4
[M+K]+ 349.21664 173.6
[M+H-H2O]+ 293.25074 174.0
[M+HCOO]- 355.25168 199.6
[M+CH3COO]- 369.26733 210.1
[M+Na-2H]- 331.22815 183.9
[M]+ 310.25293 179.6
[M]- 310.25403 179.6
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

patents stripe