CID 95708

Acronycidine

Structural Information

Molecular Formula
C15H15NO5
SMILES
COC1=CC(=C(C2=C1C(=C3C=COC3=N2)OC)OC)OC
InChI
InChI=1S/C15H15NO5/c1-17-9-7-10(18-2)14(20-4)12-11(9)13(19-3)8-5-6-21-15(8)16-12/h5-7H,1-4H3
InChIKey
XTCGYRFLVLFRGW-UHFFFAOYSA-N
Compound name
4,5,7,8-tetramethoxyfuro[2,3-b]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

92
Patents

289.09503 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.102306 161.7
[M+Na]+ 312.084248 174.3
[M-H]- 288.087754 168.2
[M+NH4]+ 307.128853 179.5
[M+K]+ 328.058188 173.3
[M+H-H2O]+ 272.092290 154.8
[M+HCOO]- 334.093231 184.7
[M+CH3COO]- 348.108881 203.1
[M+Na-2H]- 310.069696 168.5
[M]+ 289.09448142 173.7
[M]- 289.09557858 173.7
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