CID 3021486

Brn 5069005

Structural Information

Molecular Formula
C12H9ClN4O
SMILES
CN1C2=C(C=C(C=C2)Cl)N(C1=O)C3=NC=CN=C3
InChI
InChI=1S/C12H9ClN4O/c1-16-9-3-2-8(13)6-10(9)17(12(16)18)11-7-14-4-5-15-11/h2-7H,1H3
InChIKey
LVBAEIRVJPVKQY-UHFFFAOYSA-N
Compound name
5-chloro-1-methyl-3-pyrazin-2-ylbenzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.04648 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.05376 154.0
[M+Na]+ 283.03570 172.2
[M+NH4]+ 278.08030 162.1
[M+K]+ 299.00964 165.8
[M-H]- 259.03920 156.8
[M+Na-2H]- 281.02115 163.3
[M]+ 260.04593 157.8
[M]- 260.04703 157.8
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

No patent data available for this compound.