CID 3061758

Brn 5566914

Structural Information

Molecular Formula
C15H13ClN2O
SMILES
CCN1C2=C(C=C(C=C2)Cl)N(C1=O)C3=CC=CC=C3
InChI
InChI=1S/C15H13ClN2O/c1-2-17-13-9-8-11(16)10-14(13)18(15(17)19)12-6-4-3-5-7-12/h3-10H,2H2,1H3
InChIKey
IKTAZSYDUBGXGB-UHFFFAOYSA-N
Compound name
5-chloro-1-ethyl-3-phenylbenzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.07166 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.07894 159.5
[M+Na]+ 295.06088 172.8
[M-H]- 271.06438 165.6
[M+NH4]+ 290.10548 177.5
[M+K]+ 311.03482 165.8
[M+H-H2O]+ 255.06892 151.5
[M+HCOO]- 317.06986 178.5
[M+CH3COO]- 331.08551 173.1
[M+Na-2H]- 293.04633 164.6
[M]+ 272.07111 165.3
[M]- 272.07221 165.3
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.