CID 202448

Benzhydrol, 2-(3-(dimethylamino)propoxy)-alpha-phenyl-, hydrochloride

Structural Information

Molecular Formula
C24H27NO2
SMILES
CN(C)CCCOC1=CC=CC=C1C(C2=CC=CC=C2)(C3=CC=CC=C3)O
InChI
InChI=1S/C24H27NO2/c1-25(2)18-11-19-27-23-17-10-9-16-22(23)24(26,20-12-5-3-6-13-20)21-14-7-4-8-15-21/h3-10,12-17,26H,11,18-19H2,1-2H3
InChIKey
LDHIILJWZLHWHK-UHFFFAOYSA-N
Compound name
[2-[3-(dimethylamino)propoxy]phenyl]-diphenylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.2042 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.21148 189.8
[M+Na]+ 384.19342 193.1
[M-H]- 360.19692 198.3
[M+NH4]+ 379.23802 201.0
[M+K]+ 400.16736 188.6
[M+H-H2O]+ 344.20146 179.7
[M+HCOO]- 406.20240 210.7
[M+CH3COO]- 420.21805 219.1
[M+Na-2H]- 382.17887 194.2
[M]+ 361.20365 190.8
[M]- 361.20475 190.8
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

No patent data available for this compound.