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

12
Patents

295.15723 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.164506 168.7
[M+Na]+ 318.146448 175.9
[M-H]- 294.149954 171.4
[M+NH4]+ 313.191053 184.6
[M+K]+ 334.120388 169.9
[M+H-H2O]+ 278.154490 161.8
[M+HCOO]- 340.155431 187.6
[M+CH3COO]- 354.171081 203.1
[M+Na-2H]- 316.131896 177.9
[M]+ 295.15668142 169.8
[M]- 295.15777858 169.8
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