CID 135408929

Nsc645925

Structural Information

Molecular Formula
C16H11N3O2
SMILES
C1=CC=C(C=C1)C2=C(N3C4=CC=CC=C4N=C3NC2=O)O
InChI
InChI=1S/C16H11N3O2/c20-14-13(10-6-2-1-3-7-10)15(21)19-12-9-5-4-8-11(12)17-16(19)18-14/h1-9,21H,(H,17,18,20)
InChIKey
DLXIROQVXDDQKE-UHFFFAOYSA-N
Compound name
4-hydroxy-3-phenyl-1H-pyrimido[1,2-a]benzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.0851 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.09238 161.6
[M+Na]+ 300.07432 173.9
[M-H]- 276.07782 165.2
[M+NH4]+ 295.11892 176.3
[M+K]+ 316.04826 166.3
[M+H-H2O]+ 260.08236 152.7
[M+HCOO]- 322.08330 180.4
[M+CH3COO]- 336.09895 173.4
[M+Na-2H]- 298.05977 168.8
[M]+ 277.08455 162.7
[M]- 277.08565 162.7
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

No patent data available for this compound.