CID 3021488

Brn 5084097

Structural Information

Molecular Formula
C14H13ClN4O
SMILES
CC(C)N1C2=C(C=C(C=C2)Cl)N(C1=O)C3=NC=CN=C3
InChI
InChI=1S/C14H13ClN4O/c1-9(2)18-11-4-3-10(15)7-12(11)19(14(18)20)13-8-16-5-6-17-13/h3-9H,1-2H3
InChIKey
KMYZZJRWJHSALC-UHFFFAOYSA-N
Compound name
5-chloro-1-propan-2-yl-3-pyrazin-2-ylbenzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.0778 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.08508 162.7
[M+Na]+ 311.06702 180.1
[M+NH4]+ 306.11162 170.2
[M+K]+ 327.04096 174.0
[M-H]- 287.07052 165.2
[M+Na-2H]- 309.05247 171.1
[M]+ 288.07725 166.2
[M]- 288.07835 166.2
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.