CID 45792185

3-(5-methyl-2-oxo-2,3-dihydro-1h-imidazol-1-yl)benzonitrile

Structural Information

Molecular Formula
C11H9N3O
SMILES
CC1=CNC(=O)N1C2=CC=CC(=C2)C#N
InChI
InChI=1S/C11H9N3O/c1-8-7-13-11(15)14(8)10-4-2-3-9(5-10)6-12/h2-5,7H,1H3,(H,13,15)
InChIKey
VXIVTYLTTCAYQN-UHFFFAOYSA-N
Compound name
3-(4-methyl-2-oxo-1H-imidazol-3-yl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.07455 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.08183 144.0
[M+Na]+ 222.06377 157.1
[M+NH4]+ 217.10837 148.0
[M+K]+ 238.03771 149.3
[M-H]- 198.06727 138.6
[M+Na-2H]- 220.04922 148.6
[M]+ 199.07400 143.4
[M]- 199.07510 143.4
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.