CID 149655

133550-81-9

Structural Information

Molecular Formula
C17H21NO2
SMILES
CC(CO)(CO)NCC1=CC=C(C=C1)C2=CC=CC=C2
InChI
InChI=1S/C17H21NO2/c1-17(12-19,13-20)18-11-14-7-9-16(10-8-14)15-5-3-2-4-6-15/h2-10,18-20H,11-13H2,1H3
InChIKey
BOKFIHJMYFSDEL-UHFFFAOYSA-N
Compound name
2-methyl-2-[(4-phenylphenyl)methylamino]propane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

2
Patents

271.15723 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.16451 166.0
[M+Na]+ 294.14645 178.1
[M+NH4]+ 289.19105 173.6
[M+K]+ 310.12039 171.1
[M-H]- 270.14995 169.7
[M+Na-2H]- 292.13190 174.2
[M]+ 271.15668 168.8
[M]- 271.15778 168.8
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

patents stripe