CID 3021487

Brn 5084244

Structural Information

Molecular Formula
C13H11ClN4O
SMILES
CCN1C2=C(C=C(C=C2)Cl)N(C1=O)C3=NC=CN=C3
InChI
InChI=1S/C13H11ClN4O/c1-2-17-10-4-3-9(14)7-11(10)18(13(17)19)12-8-15-5-6-16-12/h3-8H,2H2,1H3
InChIKey
VQIBUDLTSQDZEN-UHFFFAOYSA-N
Compound name
5-chloro-1-ethyl-3-pyrazin-2-ylbenzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.06213 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.06941 159.6
[M+Na]+ 297.05135 173.6
[M-H]- 273.05485 163.0
[M+NH4]+ 292.09595 174.5
[M+K]+ 313.02529 166.7
[M+H-H2O]+ 257.05939 150.0
[M+HCOO]- 319.06033 176.3
[M+CH3COO]- 333.07598 172.3
[M+Na-2H]- 295.03680 165.5
[M]+ 274.06158 165.4
[M]- 274.06268 165.4
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.