CID 486631

50290-51-2

Structural Information

Molecular Formula
C11H9N3O
SMILES
CC1=CC(=O)N2C3=CC=CC=C3N=C2N1
InChI
InChI=1S/C11H9N3O/c1-7-6-10(15)14-9-5-3-2-4-8(9)13-11(14)12-7/h2-6H,1H3,(H,12,13)
InChIKey
GGBPUPFQFFGKLR-UHFFFAOYSA-N
Compound name
2-methyl-1H-pyrimido[1,2-a]benzimidazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

11
Patents

199.07455 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.08183 140.7
[M+Na]+ 222.06377 153.8
[M-H]- 198.06727 142.2
[M+NH4]+ 217.10837 159.8
[M+K]+ 238.03771 148.2
[M+H-H2O]+ 182.07181 133.2
[M+HCOO]- 244.07275 161.4
[M+CH3COO]- 258.08840 154.3
[M+Na-2H]- 220.04922 149.4
[M]+ 199.07400 142.7
[M]- 199.07510 142.7
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.