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

literature stripe

Patent stripe

patents stripe