CID 49616

7-(dimethylamino)-4,4-diphenyl-3-heptanol 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]+ 312.23218 179.4
[M+Na]+ 334.21412 181.8
[M-H]- 310.21762 184.7
[M+NH4]+ 329.25872 193.1
[M+K]+ 350.18806 178.3
[M+H-H2O]+ 294.22216 170.9
[M+HCOO]- 356.22310 199.0
[M+CH3COO]- 370.23875 211.9
[M+Na-2H]- 332.19957 182.3
[M]+ 311.22435 179.9
[M]- 311.22545 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.