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 152.5
[M+Na]+ 262.09509 164.6
[M-H]- 238.09859 157.3
[M+NH4]+ 257.13969 169.3
[M+K]+ 278.06903 159.2
[M+H-H2O]+ 222.10313 143.4
[M+HCOO]- 284.10407 175.3
[M+CH3COO]- 298.11972 165.9
[M+Na-2H]- 260.08054 159.5
[M]+ 239.10532 156.0
[M]- 239.10642 156.0
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.