CID 44676

6-dimethylamino-4,4-diphenyl-5-methyl-3-hexanol hydrochloride

Structural Information

Molecular Formula
C21H29NO
SMILES
CCC(C(C1=CC=CC=C1)(C2=CC=CC=C2)C(C)CN(C)C)O
InChI
InChI=1S/C21H29NO/c1-5-20(23)21(17(2)16-22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17,20,23H,5,16H2,1-4H3
InChIKey
UKKMLFPHCPRNJI-UHFFFAOYSA-N
Compound name
6-(dimethylamino)-5-methyl-4,4-diphenylhexan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

311.2249 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.23218 179.8
[M+Na]+ 334.21412 191.2
[M+NH4]+ 329.25872 187.7
[M+K]+ 350.18806 184.4
[M-H]- 310.21762 184.2
[M+Na-2H]- 332.19957 187.8
[M]+ 311.22435 182.8
[M]- 311.22545 182.8
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