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]+ 240.113146 152.5
[M+Na]+ 262.095088 164.6
[M-H]- 238.098594 157.3
[M+NH4]+ 257.139693 169.3
[M+K]+ 278.069028 159.2
[M+H-H2O]+ 222.103130 143.4
[M+HCOO]- 284.104071 175.3
[M+CH3COO]- 298.119721 165.9
[M+Na-2H]- 260.080536 159.5
[M]+ 239.10532142 156.0
[M]- 239.10641858 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.