CID 135511118

3,4-dihydropyrimido[5,4-b]indo-4-one-2'-furyl-7,8-dimethoxy

Structural Information

Molecular Formula
C16H13N3O4
SMILES
COC1=C(C=C2C(=C1)C3=C(N2)C(=O)NC(=N3)C4=CC=CO4)OC
InChI
InChI=1S/C16H13N3O4/c1-21-11-6-8-9(7-12(11)22-2)17-14-13(8)18-15(19-16(14)20)10-4-3-5-23-10/h3-7,17H,1-2H3,(H,18,19,20)
InChIKey
HNXNQZXZVIFTLG-UHFFFAOYSA-N
Compound name
2-(furan-2-yl)-7,8-dimethoxy-3,5-dihydropyrimido[5,4-b]indol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

311.0906 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.09788 167.5
[M+Na]+ 334.07982 181.1
[M-H]- 310.08332 173.0
[M+NH4]+ 329.12442 181.8
[M+K]+ 350.05376 176.4
[M+H-H2O]+ 294.08786 160.0
[M+HCOO]- 356.08880 188.0
[M+CH3COO]- 370.10445 180.3
[M+Na-2H]- 332.06527 172.4
[M]+ 311.09005 174.8
[M]- 311.09115 174.8
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

No patent data available for this compound.