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]+ 289.073836 162.5
[M+Na]+ 311.055778 176.5
[M-H]- 287.059284 169.0
[M+NH4]+ 306.100383 180.0
[M+K]+ 327.029718 170.2
[M+H-H2O]+ 271.063820 154.7
[M+HCOO]- 333.064761 181.6
[M+CH3COO]- 347.080411 176.2
[M+Na-2H]- 309.041226 167.0
[M]+ 288.06601142 170.1
[M]- 288.06710858 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.