CID 214451

Naphth(1',2':4,5)imidazo(2,1-b)quinazolin-8(14h)-one

Structural Information

Molecular Formula
C18H11N3O
SMILES
C1=CC=C2C(=C1)C=CC3=C2N=C4N3C(=O)C5=CC=CC=C5N4
InChI
InChI=1S/C18H11N3O/c22-17-13-7-3-4-8-14(13)19-18-20-16-12-6-2-1-5-11(12)9-10-15(16)21(17)18/h1-10H,(H,19,20)
InChIKey
PJIIHAXKOOJEHJ-UHFFFAOYSA-N
Compound name
2,10,12-triazapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),4,6,8,11,14,16,18,20-nonaen-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

285.0902 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.09748 164.6
[M+Na]+ 308.07942 184.2
[M+NH4]+ 303.12402 174.6
[M+K]+ 324.05336 175.9
[M-H]- 284.08292 168.5
[M+Na-2H]- 306.06487 172.7
[M]+ 285.08965 168.9
[M]- 285.09075 168.9
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

patents stripe