CID 202452

2-(3-(diethylamino)propoxy)benzhydrol hydrogen phosphate

Structural Information

Molecular Formula
C20H27NO2
SMILES
CCN(CC)CCCOC1=CC=CC=C1C(C2=CC=CC=C2)O
InChI
InChI=1S/C20H27NO2/c1-3-21(4-2)15-10-16-23-19-14-9-8-13-18(19)20(22)17-11-6-5-7-12-17/h5-9,11-14,20,22H,3-4,10,15-16H2,1-2H3
InChIKey
ZKNIBXHPVSYXPO-UHFFFAOYSA-N
Compound name
[2-[3-(diethylamino)propoxy]phenyl]-phenylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.2042 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.21148 178.7
[M+Na]+ 336.19342 181.9
[M-H]- 312.19692 184.2
[M+NH4]+ 331.23802 192.4
[M+K]+ 352.16736 178.7
[M+H-H2O]+ 296.20146 169.7
[M+HCOO]- 358.20240 200.4
[M+CH3COO]- 372.21805 211.7
[M+Na-2H]- 334.17887 180.6
[M]+ 313.20365 181.0
[M]- 313.20475 181.0
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.