CID 342283

84229-49-2

Structural Information

Molecular Formula
C18H23NO4
SMILES
CCCNCC(COC1=CC2=C(C=C1)C3=C(CCC3)C(=O)O2)O
InChI
InChI=1S/C18H23NO4/c1-2-8-19-10-12(20)11-22-13-6-7-15-14-4-3-5-16(14)18(21)23-17(15)9-13/h6-7,9,12,19-20H,2-5,8,10-11H2,1H3
InChIKey
MDRIKKUAZCPOBY-UHFFFAOYSA-N
Compound name
7-[2-hydroxy-3-(propylamino)propoxy]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.16272 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.17000 173.1
[M+Na]+ 340.15194 179.2
[M-H]- 316.15544 177.3
[M+NH4]+ 335.19654 189.2
[M+K]+ 356.12588 176.4
[M+H-H2O]+ 300.15998 166.4
[M+HCOO]- 362.16092 192.0
[M+CH3COO]- 376.17657 208.3
[M+Na-2H]- 338.13739 176.9
[M]+ 317.16217 176.6
[M]- 317.16327 176.6
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.