CID 135511117

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

Structural Information

Molecular Formula
C14H9N3O2
SMILES
C1=CC=C2C(=C1)C3=C(N2)C(=O)NC(=N3)C4=CC=CO4
InChI
InChI=1S/C14H9N3O2/c18-14-12-11(8-4-1-2-5-9(8)15-12)16-13(17-14)10-6-3-7-19-10/h1-7,15H,(H,16,17,18)
InChIKey
DQEBLCJSQFVYRK-UHFFFAOYSA-N
Compound name
2-(furan-2-yl)-3,5-dihydropyrimido[5,4-b]indol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

251.06947 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.07675 151.1
[M+Na]+ 274.05869 164.6
[M-H]- 250.06219 156.1
[M+NH4]+ 269.10329 167.6
[M+K]+ 290.03263 158.8
[M+H-H2O]+ 234.06673 143.8
[M+HCOO]- 296.06767 172.2
[M+CH3COO]- 310.08332 164.6
[M+Na-2H]- 272.04414 158.4
[M]+ 251.06892 154.4
[M]- 251.07002 154.4
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.