CID 214079

27674-55-1

Structural Information

Molecular Formula
C21H29NO2
SMILES
CCN(CC)CC(COC)C(C1=CC=CC=C1)(C2=CC=CC=C2)O
InChI
InChI=1S/C21H29NO2/c1-4-22(5-2)16-20(17-24-3)21(23,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,20,23H,4-5,16-17H2,1-3H3
InChIKey
TZHRLIANNQAHAU-UHFFFAOYSA-N
Compound name
2-(diethylaminomethyl)-3-methoxy-1,1-diphenylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.21982 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.227096 182.8
[M+Na]+ 350.209038 185.1
[M-H]- 326.212544 188.0
[M+NH4]+ 345.253643 195.7
[M+K]+ 366.182978 182.1
[M+H-H2O]+ 310.217080 174.1
[M+HCOO]- 372.218021 202.6
[M+CH3COO]- 386.233671 213.9
[M+Na-2H]- 348.194486 185.7
[M]+ 327.21927142 184.6
[M]- 327.22036858 184.6
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.