CID 24834848

Brn 5084576

Structural Information

Molecular Formula
C11H9ClN4O2
SMILES
CC1=NC(=NO1)N2C3=C(C=CC(=C3)Cl)N(C2=O)C
InChI
InChI=1S/C11H9ClN4O2/c1-6-13-10(14-18-6)16-9-5-7(12)3-4-8(9)15(2)11(16)17/h3-5H,1-2H3
InChIKey
WZFUXYDHAPWISG-UHFFFAOYSA-N
Compound name
5-chloro-1-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.0414 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.04868 155.6
[M+Na]+ 287.03062 171.1
[M-H]- 263.03412 160.7
[M+NH4]+ 282.07522 171.8
[M+K]+ 303.00456 166.7
[M+H-H2O]+ 247.03866 147.5
[M+HCOO]- 309.03960 173.0
[M+CH3COO]- 323.05525 169.6
[M+Na-2H]- 285.01607 159.0
[M]+ 264.04085 163.8
[M]- 264.04195 163.8
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.