CID 5319758

Platydesminium

Structural Information

Molecular Formula
C16H20NO3
SMILES
CC(C)(C1CC2=C(C3=CC=CC=C3[N+](=C2O1)C)OC)O
InChI
InChI=1S/C16H20NO3/c1-16(2,18)13-9-11-14(19-4)10-7-5-6-8-12(10)17(3)15(11)20-13/h5-8,13,18H,9H2,1-4H3/q+1
InChIKey
HXSFUGOHWOKESA-UHFFFAOYSA-N
Compound name
2-(4-methoxy-9-methyl-2,3-dihydrofuro[2,3-b]quinolin-9-ium-2-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

274.14432 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.15160 165.0
[M+Na]+ 297.13354 174.3
[M-H]- 273.13704 169.4
[M+NH4]+ 292.17814 182.3
[M+K]+ 313.10748 166.3
[M+H-H2O]+ 257.14158 162.0
[M+HCOO]- 319.14252 181.1
[M+CH3COO]- 333.15817 192.3
[M+Na-2H]- 295.11899 173.2
[M]+ 274.14377 167.7
[M]- 274.14487 167.7
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