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]+ 322.18016 177.1
[M+Na]+ 344.16210 182.4
[M-H]- 320.16560 181.5
[M+NH4]+ 339.20670 190.5
[M+K]+ 360.13604 176.2
[M+H-H2O]+ 304.17014 169.2
[M+HCOO]- 366.17108 195.6
[M+CH3COO]- 380.18673 207.5
[M+Na-2H]- 342.14755 183.6
[M]+ 321.17233 176.1
[M]- 321.17343 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.