CID 388456

Nsc683386

Structural Information

Molecular Formula
C16H13N3O
SMILES
C1C(N2C3=CC=CC=C3N=C2NC1=O)C4=CC=CC=C4
InChI
InChI=1S/C16H13N3O/c20-15-10-14(11-6-2-1-3-7-11)19-13-9-5-4-8-12(13)17-16(19)18-15/h1-9,14H,10H2,(H,17,18,20)
InChIKey
LVGOOYNXKOWFLW-UHFFFAOYSA-N
Compound name
4-phenyl-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

263.10587 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.11315 159.4
[M+Na]+ 286.09509 169.4
[M-H]- 262.09859 163.0
[M+NH4]+ 281.13969 175.0
[M+K]+ 302.06903 162.3
[M+H-H2O]+ 246.10313 149.9
[M+HCOO]- 308.10407 176.8
[M+CH3COO]- 322.11972 170.6
[M+Na-2H]- 284.08054 165.6
[M]+ 263.10532 157.6
[M]- 263.10642 157.6
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.