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 164.3
[M+Na]+ 294.14645 169.0
[M-H]- 270.14995 167.8
[M+NH4]+ 289.19105 178.6
[M+K]+ 310.12039 164.2
[M+H-H2O]+ 254.15449 157.0
[M+HCOO]- 316.15543 184.5
[M+CH3COO]- 330.17108 196.5
[M+Na-2H]- 292.13190 170.3
[M]+ 271.15668 162.7
[M]- 271.15778 162.7
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

patents stripe