CID 68061

Isoacronycidin

Structural Information

Molecular Formula
C15H15NO5
SMILES
CN1C2=C(C(=CC(=C2OC)OC)OC)C(=O)C3=C1OC=C3
InChI
InChI=1S/C15H15NO5/c1-16-12-11(13(17)8-5-6-21-15(8)16)9(18-2)7-10(19-3)14(12)20-4/h5-7H,1-4H3
InChIKey
JDSSUKRVTPIYBN-UHFFFAOYSA-N
Compound name
5,7,8-trimethoxy-9-methylfuro[2,3-b]quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.09503 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.10231 160.9
[M+Na]+ 312.08425 174.6
[M-H]- 288.08775 167.8
[M+NH4]+ 307.12885 179.0
[M+K]+ 328.05819 173.1
[M+H-H2O]+ 272.09229 154.4
[M+HCOO]- 334.09323 184.1
[M+CH3COO]- 348.10888 203.8
[M+Na-2H]- 310.06970 167.1
[M]+ 289.09448 172.6
[M]- 289.09558 172.6
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.