CID 3063265

100311-06-6

Structural Information

Molecular Formula
C21H23NO2
SMILES
CC(CNCC1=CC=CO1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O
InChI
InChI=1S/C21H23NO2/c1-17(15-22-16-20-13-8-14-24-20)21(23,18-9-4-2-5-10-18)19-11-6-3-7-12-19/h2-14,17,22-23H,15-16H2,1H3
InChIKey
ZQYDMNMPHKWKJM-UHFFFAOYSA-N
Compound name
3-(furan-2-ylmethylamino)-2-methyl-1,1-diphenylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.17288 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.180156 177.2
[M+Na]+ 344.162098 180.7
[M-H]- 320.165604 185.6
[M+NH4]+ 339.206703 189.9
[M+K]+ 360.136038 177.1
[M+H-H2O]+ 304.170140 169.0
[M+HCOO]- 366.171081 197.8
[M+CH3COO]- 380.186731 206.5
[M+Na-2H]- 342.147546 181.8
[M]+ 321.17233142 176.7
[M]- 321.17342858 176.7
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.