CID 49616

3-heptanol, 7-(dimethylamino)-4,4-diphenyl-, hydrochloride

Structural Information

Molecular Formula
C21H29NO
SMILES
CCC(C(CCCN(C)C)(C1=CC=CC=C1)C2=CC=CC=C2)O
InChI
InChI=1S/C21H29NO/c1-4-20(23)21(16-11-17-22(2)3,18-12-7-5-8-13-18)19-14-9-6-10-15-19/h5-10,12-15,20,23H,4,11,16-17H2,1-3H3
InChIKey
PXRUQACGULIZKM-UHFFFAOYSA-N
Compound name
7-(dimethylamino)-4,4-diphenylheptan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.2249 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.232176 179.4
[M+Na]+ 334.214118 181.8
[M-H]- 310.217624 184.7
[M+NH4]+ 329.258723 193.1
[M+K]+ 350.188058 178.3
[M+H-H2O]+ 294.222160 170.9
[M+HCOO]- 356.223101 199.0
[M+CH3COO]- 370.238751 211.9
[M+Na-2H]- 332.199566 182.3
[M]+ 311.22435142 179.9
[M]- 311.22544858 179.9
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

No patent data available for this compound.