CID 24834848

2-benzimidazolinone, 6-chloro-1-(5-methyl-1,2,4-oxadiazol-3-yl)-3-methyl-

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]+ 265.048676 155.6
[M+Na]+ 287.030618 171.1
[M-H]- 263.034124 160.7
[M+NH4]+ 282.075223 171.8
[M+K]+ 303.004558 166.7
[M+H-H2O]+ 247.038660 147.5
[M+HCOO]- 309.039601 173.0
[M+CH3COO]- 323.055251 169.6
[M+Na-2H]- 285.016066 159.0
[M]+ 264.04085142 163.8
[M]- 264.04194858 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.