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 163.7
[M+Na]+ 311.06702 176.8
[M-H]- 287.07052 167.1
[M+NH4]+ 306.11162 178.0
[M+K]+ 327.04096 170.2
[M+H-H2O]+ 271.07506 154.0
[M+HCOO]- 333.07600 179.1
[M+CH3COO]- 347.09165 175.8
[M+Na-2H]- 309.05247 168.0
[M]+ 288.07725 169.2
[M]- 288.07835 169.2
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.