CID 97927

2-hydroxy-1,2-bis(6-methyl-2-pyridinyl)ethanone

Structural Information

Molecular Formula
C14H14N2O2
SMILES
CC1=NC(=CC=C1)C(C(=O)C2=CC=CC(=N2)C)O
InChI
InChI=1S/C14H14N2O2/c1-9-5-3-7-11(15-9)13(17)14(18)12-8-4-6-10(2)16-12/h3-8,13,17H,1-2H3
InChIKey
IDUIGZZRUKXMOQ-UHFFFAOYSA-N
Compound name
2-hydroxy-1,2-bis(6-methyl-2-pyridinyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

242.10553 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.112806 154.5
[M+Na]+ 265.094748 162.2
[M-H]- 241.098254 157.4
[M+NH4]+ 260.139353 168.4
[M+K]+ 281.068688 158.5
[M+H-H2O]+ 225.102790 145.9
[M+HCOO]- 287.103731 173.3
[M+CH3COO]- 301.119381 192.1
[M+Na-2H]- 263.080196 158.4
[M]+ 242.10498142 154.4
[M]- 242.10607858 154.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe