CID 157156

78104-71-9

Structural Information

Molecular Formula

C₁₈H₁₅ClN₂O₄

SMILES

CC(C(=O)OC)OC1=CC=C(C=C1)OC2=CN=C3C=CC(=CC3=N2)Cl

InChI

InChI=1S/C18H15ClN2O4/c1-11(18(22)23-2)24-13-4-6-14(7-5-13)25-17-10-20-15-8-3-12(19)9-16(15)21-17/h3-11H,1-2H3

InChIKey

NPUWJNOFOGQLSR-UHFFFAOYSA-N

Compound name

methyl 2-[4-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 358.07202 Da
Monoisotopic Mass: 3.9
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]+	359.07930	178.8
[M+Na]+	381.06124	187.6
[M-H]-	357.06474	183.7
[M+NH4]+	376.10584	190.3
[M+K]+	397.03518	183.3
[M+H-H2O]+	341.06928	169.1
[M+HCOO]-	403.07022	193.1
[M+CH3COO]-	417.08587	212.6
[M+Na-2H]-	379.04669	183.3
[M]+	358.07147	185.9
[M]-	358.07257	185.9

Literature stripe

literature stripe

Patent stripe

patents stripe