CID 25572

Ancymidol

Structural Information

Molecular Formula

C₁₅H₁₆N₂O₂

SMILES

COC1=CC=C(C=C1)C(C2CC2)(C3=CN=CN=C3)O

InChI

InChI=1S/C15H16N2O2/c1-19-14-6-4-12(5-7-14)15(18,11-2-3-11)13-8-16-10-17-9-13/h4-11,18H,2-3H2,1H3

InChIKey

HUTDUHSNJYTCAR-UHFFFAOYSA-N

Compound name

cyclopropyl-(4-methoxyphenyl)-pyrimidin-5-ylmethanol

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 29
References: 14102
Patents: 256.1212 Da
Monoisotopic Mass: 1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	257.12848	162.1
[M+Na]+	279.11042	170.8
[M-H]-	255.11392	168.3
[M+NH4]+	274.15502	170.6
[M+K]+	295.08436	166.1
[M+H-H2O]+	239.11846	153.2
[M+HCOO]-	301.11940	181.6
[M+CH3COO]-	315.13505	194.8
[M+Na-2H]-	277.09587	169.1
[M]+	256.12065	164.1
[M]-	256.12175	164.1

Literature stripe

literature stripe

Patent stripe

patents stripe