CID 46942125

1260656-68-5

Structural Information

Molecular Formula

C₁₄H₁₁ClN₄O₂

SMILES

CC1=NOC(=C1)C2=CN=C(N=C2C3=NC(=CC=C3)Cl)OC

InChI

InChI=1S/C14H11ClN4O2/c1-8-6-11(21-19-8)9-7-16-14(20-2)18-13(9)10-4-3-5-12(15)17-10/h3-7H,1-2H3

InChIKey

JYDNRRGALKLEAR-UHFFFAOYSA-N

Compound name

5-[4-(6-chloro-2-pyridinyl)-2-methoxypyrimidin-5-yl]-3-methyl-1,2-oxazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 302.05707 Da
Monoisotopic Mass: 2.6
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]+	303.064346	167.1
[M+Na]+	325.046288	179.1
[M-H]-	301.049794	173.0
[M+NH4]+	320.090893	178.0
[M+K]+	341.020228	174.3
[M+H-H2O]+	285.054330	156.3
[M+HCOO]-	347.055271	182.5
[M+CH3COO]-	361.070921	179.0
[M+Na-2H]-	323.031736	171.2
[M]+	302.05652142	173.0
[M]-	302.05761858	173.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe