CID 149659

133550-83-1

Structural Information

Molecular Formula
C21H23NO2
SMILES
CC(CO)(CO)NCC1=CC=C(C2=CC=CC=C12)C3=CC=CC=C3
InChI
InChI=1S/C21H23NO2/c1-21(14-23,15-24)22-13-17-11-12-19(16-7-3-2-4-8-16)20-10-6-5-9-18(17)20/h2-12,22-24H,13-15H2,1H3
InChIKey
ORZMGIDZLLBPJI-UHFFFAOYSA-N
Compound name
2-methyl-2-[(4-phenylnaphthalen-1-yl)methylamino]propane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

321.17288 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.180156 177.1
[M+Na]+ 344.162098 182.4
[M-H]- 320.165604 181.5
[M+NH4]+ 339.206703 190.5
[M+K]+ 360.136038 176.2
[M+H-H2O]+ 304.170140 169.2
[M+HCOO]- 366.171081 195.6
[M+CH3COO]- 380.186731 207.5
[M+Na-2H]- 342.147546 183.6
[M]+ 321.17233142 176.1
[M]- 321.17342858 176.1
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.