CID 150425

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

Structural Information

Molecular Formula
C19H21NO2
SMILES
CC(CO)C(NCC1=C2C=CC=CC2=CC3=CC=CC=C31)O
InChI
InChI=1S/C19H21NO2/c1-13(12-21)19(22)20-11-18-16-8-4-2-6-14(16)10-15-7-3-5-9-17(15)18/h2-10,13,19-22H,11-12H2,1H3
InChIKey
XMDCXOTXKWPBAR-UHFFFAOYSA-N
Compound name
1-(anthracen-9-ylmethylamino)-2-methylpropane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.15723 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.16451 168.3
[M+Na]+ 318.14645 174.3
[M-H]- 294.14995 170.7
[M+NH4]+ 313.19105 183.9
[M+K]+ 334.12039 169.0
[M+H-H2O]+ 278.15449 161.1
[M+HCOO]- 340.15543 186.8
[M+CH3COO]- 354.17108 204.5
[M+Na-2H]- 316.13190 174.2
[M]+ 295.15668 168.5
[M]- 295.15778 168.5
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

No patent data available for this compound.