CID 150416

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

Structural Information

Molecular Formula
C19H21NO2
SMILES
CC(CO)(CO)NCC1=CC2=C(C=CC3=CC=CC=C32)C=C1
InChI
InChI=1S/C19H21NO2/c1-19(12-21,13-22)20-11-14-6-7-16-9-8-15-4-2-3-5-17(15)18(16)10-14/h2-10,20-22H,11-13H2,1H3
InChIKey
HDYYWWYVFIEXQR-UHFFFAOYSA-N
Compound name
2-methyl-2-(phenanthren-3-ylmethylamino)propane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
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 168.7
[M+Na]+ 318.14645 175.9
[M-H]- 294.14995 171.4
[M+NH4]+ 313.19105 184.6
[M+K]+ 334.12039 169.9
[M+H-H2O]+ 278.15449 161.8
[M+HCOO]- 340.15543 187.6
[M+CH3COO]- 354.17108 203.1
[M+Na-2H]- 316.13190 177.9
[M]+ 295.15668 169.8
[M]- 295.15778 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