CID 3021482

Brn 5073479

Structural Information

Molecular Formula
C14H12ClN3O
SMILES
CCN1C2=C(C=C(C=C2)Cl)N(C1=O)C3=CC=CC=N3
InChI
InChI=1S/C14H12ClN3O/c1-2-17-11-7-6-10(15)9-12(11)18(14(17)19)13-5-3-4-8-16-13/h3-9H,2H2,1H3
InChIKey
QPTUZSRKKCPICV-UHFFFAOYSA-N
Compound name
5-chloro-1-ethyl-3-pyridin-2-ylbenzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.0669 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.07418 159.5
[M+Na]+ 296.05612 173.1
[M-H]- 272.05962 164.2
[M+NH4]+ 291.10072 176.0
[M+K]+ 312.03006 166.2
[M+H-H2O]+ 256.06416 150.6
[M+HCOO]- 318.06510 177.4
[M+CH3COO]- 332.08075 172.6
[M+Na-2H]- 294.04157 165.0
[M]+ 273.06635 165.3
[M]- 273.06745 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.