CID 150404

2-((7-fluoranthenylmethyl)amino)-2-methyl-1,3-propanediol hydrochloride

Structural Information

Molecular Formula
C21H21NO2
SMILES
CC(CO)(CO)NCC1=C2C(=CC=C1)C3=CC=CC4=C3C2=CC=C4
InChI
InChI=1S/C21H21NO2/c1-21(12-23,13-24)22-11-15-7-4-9-17-16-8-2-5-14-6-3-10-18(19(14)16)20(15)17/h2-10,22-24H,11-13H2,1H3
InChIKey
MLJNLTKZDVMQQC-UHFFFAOYSA-N
Compound name
2-(fluoranthen-7-ylmethylamino)-2-methylpropane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

319.15723 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.16451 176.1
[M+Na]+ 342.14645 183.3
[M-H]- 318.14995 179.1
[M+NH4]+ 337.19105 194.2
[M+K]+ 358.12039 176.8
[M+H-H2O]+ 302.15449 169.9
[M+HCOO]- 364.15543 193.4
[M+CH3COO]- 378.17108 186.3
[M+Na-2H]- 340.13190 183.4
[M]+ 319.15668 178.3
[M]- 319.15778 178.3
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