CID 3061796

Brn 5578688

Structural Information

Molecular Formula
C15H13ClN2O2
SMILES
CN1C2=C(C=C(C=C2)Cl)N(C1=O)C3=CC=C(C=C3)OC
InChI
InChI=1S/C15H13ClN2O2/c1-17-13-8-3-10(16)9-14(13)18(15(17)19)11-4-6-12(20-2)7-5-11/h3-9H,1-2H3
InChIKey
BWQMAAJEOAEUMD-UHFFFAOYSA-N
Compound name
5-chloro-3-(4-methoxyphenyl)-1-methylbenzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.06656 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.07384 162.5
[M+Na]+ 311.05578 176.5
[M-H]- 287.05928 169.0
[M+NH4]+ 306.10038 180.0
[M+K]+ 327.02972 170.2
[M+H-H2O]+ 271.06382 154.7
[M+HCOO]- 333.06476 181.6
[M+CH3COO]- 347.08041 176.2
[M+Na-2H]- 309.04123 167.0
[M]+ 288.06601 170.1
[M]- 288.06711 170.1
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.