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 163.4
[M+Na]+ 308.07942 177.4
[M-H]- 284.08292 167.1
[M+NH4]+ 303.12402 180.5
[M+K]+ 324.05336 168.7
[M+H-H2O]+ 268.08746 154.0
[M+HCOO]- 330.08840 182.1
[M+CH3COO]- 344.10405 175.6
[M+Na-2H]- 306.06487 173.9
[M]+ 285.08965 166.8
[M]- 285.09075 166.8
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