CID 161210

Metyrapol

Structural Information

Molecular Formula
C14H16N2O
SMILES
CC(C)(C1=CN=CC=C1)C(C2=CN=CC=C2)O
InChI
InChI=1S/C14H16N2O/c1-14(2,12-6-4-8-16-10-12)13(17)11-5-3-7-15-9-11/h3-10,13,17H,1-2H3
InChIKey
DDFNHFXLQJLFSX-UHFFFAOYSA-N
Compound name
2-methyl-1,2-dipyridin-3-ylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

18
References

49
Patents

228.12627 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.13355 153.1
[M+Na]+ 251.11549 166.9
[M+NH4]+ 246.16009 160.8
[M+K]+ 267.08943 160.5
[M-H]- 227.11899 155.7
[M+Na-2H]- 249.10094 162.5
[M]+ 228.12572 155.9
[M]- 228.12682 155.9
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