CID 22465447

2-methyl-5-(1-methyl-1h-imidazole-5-carbonyl)pyridine

Structural Information

Molecular Formula
C11H11N3O
SMILES
CC1=NC=C(C=C1)C(=O)C2=CN=CN2C
InChI
InChI=1S/C11H11N3O/c1-8-3-4-9(5-13-8)11(15)10-6-12-7-14(10)2/h3-7H,1-2H3
InChIKey
ZFYHDXZZLIRENX-UHFFFAOYSA-N
Compound name
(3-methylimidazol-4-yl)-(6-methylpyridin-3-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

201.09021 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.09749 143.0
[M+Na]+ 224.07943 152.7
[M-H]- 200.08293 146.4
[M+NH4]+ 219.12403 160.0
[M+K]+ 240.05337 149.7
[M+H-H2O]+ 184.08747 134.3
[M+HCOO]- 246.08841 164.6
[M+CH3COO]- 260.10406 185.4
[M+Na-2H]- 222.06488 147.4
[M]+ 201.08966 144.2
[M]- 201.09076 144.2
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

patents stripe