CID 11782200

131860-97-4

Structural Information

Molecular Formula
C15H13ClN2O4
SMILES
CO/C=C(\C1=CC=CC=C1OC2=CC(=NC=N2)Cl)/C(=O)OC
InChI
InChI=1S/C15H13ClN2O4/c1-20-8-11(15(19)21-2)10-5-3-4-6-12(10)22-14-7-13(16)17-9-18-14/h3-9H,1-2H3/b11-8+
InChIKey
YRYZZSRRDCTETP-DHZHZOJOSA-N
Compound name
methyl (E)-2-[2-(6-chloropyrimidin-4-yl)oxyphenyl]-3-methoxyprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

202
Patents

320.0564 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.06368 169.2
[M+Na]+ 343.04562 183.6
[M+NH4]+ 338.09022 175.2
[M+K]+ 359.01956 177.3
[M-H]- 319.04912 170.8
[M+Na-2H]- 341.03107 176.7
[M]+ 320.05585 171.9
[M]- 320.05695 171.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe