CID 6451457

Platydesmine

Structural Information

Molecular Formula
C15H17NO3
SMILES
CC(C)([C@H]1CC2=C(C3=CC=CC=C3N=C2O1)OC)O
InChI
InChI=1S/C15H17NO3/c1-15(2,17)12-8-10-13(18-3)9-6-4-5-7-11(9)16-14(10)19-12/h4-7,12,17H,8H2,1-3H3/t12-/m1/s1
InChIKey
OYGWMFMSZPRSPD-GFCCVEGCSA-N
Compound name
2-[(2R)-4-methoxy-2,3-dihydrofuro[2,3-b]quinolin-2-yl]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

259.12085 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.12813 159.0
[M+Na]+ 282.11007 168.1
[M-H]- 258.11357 162.8
[M+NH4]+ 277.15467 176.9
[M+K]+ 298.08401 165.8
[M+H-H2O]+ 242.11811 153.1
[M+HCOO]- 304.11905 175.8
[M+CH3COO]- 318.13470 194.9
[M+Na-2H]- 280.09552 165.7
[M]+ 259.12030 162.2
[M]- 259.12140 162.2
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.