CID 3021478

Brn 5043997

Structural Information

Molecular Formula
C14H13N3O
SMILES
CCN1C2=CC=CC=C2N(C1=O)C3=CC=CC=N3
InChI
InChI=1S/C14H13N3O/c1-2-16-11-7-3-4-8-12(11)17(14(16)18)13-9-5-6-10-15-13/h3-10H,2H2,1H3
InChIKey
RVTUOJYFHCOGFR-UHFFFAOYSA-N
Compound name
1-ethyl-3-pyridin-2-ylbenzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.10587 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.11315 152.4
[M+Na]+ 262.09509 169.2
[M+NH4]+ 257.13969 160.7
[M+K]+ 278.06903 162.8
[M-H]- 238.09859 155.8
[M+Na-2H]- 260.08054 161.8
[M]+ 239.10532 155.9
[M]- 239.10642 155.9
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.