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]+ 290.10231 161.7
[M+Na]+ 312.08425 174.3
[M-H]- 288.08775 168.2
[M+NH4]+ 307.12885 179.5
[M+K]+ 328.05819 173.3
[M+H-H2O]+ 272.09229 154.8
[M+HCOO]- 334.09323 184.7
[M+CH3COO]- 348.10888 203.1
[M+Na-2H]- 310.06970 168.5
[M]+ 289.09448 173.7
[M]- 289.09558 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.