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

17
Patents

311.2249 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.232176 179.0
[M+Na]+ 334.214118 181.2
[M-H]- 310.217624 184.4
[M+NH4]+ 329.258723 192.7
[M+K]+ 350.188058 178.2
[M+H-H2O]+ 294.222160 170.8
[M+HCOO]- 356.223101 197.6
[M+CH3COO]- 370.238751 212.8
[M+Na-2H]- 332.199566 180.8
[M]+ 311.22435142 178.9
[M]- 311.22544858 178.9
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