CID 150422

1,3-propanediol, 2-((1-anthracenylmethyl)amino)-2-methyl-, hydrochloride

Structural Information

Molecular Formula
C19H21NO2
SMILES
CC(CO)(CO)NCC1=CC=CC2=CC3=CC=CC=C3C=C21
InChI
InChI=1S/C19H21NO2/c1-19(12-21,13-22)20-11-17-8-4-7-16-9-14-5-2-3-6-15(14)10-18(16)17/h2-10,20-22H,11-13H2,1H3
InChIKey
KUPZBMGVLLMQLO-UHFFFAOYSA-N
Compound name
2-(anthracen-1-ylmethylamino)-2-methylpropane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

295.15723 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.16451 169.9
[M+Na]+ 318.14645 183.8
[M+NH4]+ 313.19105 178.6
[M+K]+ 334.12039 175.6
[M-H]- 294.14995 173.3
[M+Na-2H]- 316.13190 177.0
[M]+ 295.15668 173.0
[M]- 295.15778 173.0
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