CID 25090727

Brn 5078258

Structural Information

Molecular Formula
C11H8ClN5O
SMILES
CN1C2=C(N=C(C=C2)Cl)N(C1=O)C3=NC=CN=C3
InChI
InChI=1S/C11H8ClN5O/c1-16-7-2-3-8(12)15-10(7)17(11(16)18)9-6-13-4-5-14-9/h2-6H,1H3
InChIKey
PHOBGFCKWFKEFH-UHFFFAOYSA-N
Compound name
5-chloro-1-methyl-3-pyrazin-2-ylimidazo[4,5-b]pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.04175 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.049026 155.4
[M+Na]+ 284.030968 170.2
[M-H]- 260.034474 157.7
[M+NH4]+ 279.075573 169.4
[M+K]+ 300.004908 163.4
[M+H-H2O]+ 244.039010 145.3
[M+HCOO]- 306.039951 171.2
[M+CH3COO]- 320.055601 168.0
[M+Na-2H]- 282.016416 162.1
[M]+ 261.04120142 160.8
[M]- 261.04229858 160.8
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.