CID 4134515

31007-41-7

Structural Information

Molecular Formula
C17H15N3O
SMILES
C1CN2C(=O)C3=CC=CC=C3N(C2=N1)CC4=CC=CC=C4
InChI
InChI=1S/C17H15N3O/c21-16-14-8-4-5-9-15(14)20(17-18-10-11-19(16)17)12-13-6-2-1-3-7-13/h1-9H,10-12H2
InChIKey
OOVVXNJOLXGIBE-UHFFFAOYSA-N
Compound name
10-benzyl-2,3-dihydroimidazo[2,1-b]quinazolin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

277.12152 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.12880 164.8
[M+Na]+ 300.11074 173.7
[M-H]- 276.11424 169.0
[M+NH4]+ 295.15534 180.2
[M+K]+ 316.08468 167.3
[M+H-H2O]+ 260.11878 154.5
[M+HCOO]- 322.11972 181.8
[M+CH3COO]- 336.13537 175.6
[M+Na-2H]- 298.09619 169.7
[M]+ 277.12097 163.5
[M]- 277.12207 163.5
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