CID 45792120

4-(5-methyl-2-oxo-2,3-dihydro-1h-imidazol-1-yl)benzonitrile

Structural Information

Molecular Formula
C11H9N3O
SMILES
CC1=CNC(=O)N1C2=CC=C(C=C2)C#N
InChI
InChI=1S/C11H9N3O/c1-8-7-13-11(15)14(8)10-4-2-9(6-12)3-5-10/h2-5,7H,1H3,(H,13,15)
InChIKey
OODUZILRBIYLQF-UHFFFAOYSA-N
Compound name
4-(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 143.4
[M+Na]+ 222.06377 155.3
[M-H]- 198.06727 145.5
[M+NH4]+ 217.10837 159.2
[M+K]+ 238.03771 149.9
[M+H-H2O]+ 182.07181 128.9
[M+HCOO]- 244.07275 161.9
[M+CH3COO]- 258.08840 154.9
[M+Na-2H]- 220.04922 147.1
[M]+ 199.07400 137.8
[M]- 199.07510 137.8
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.