CID 11782200

Ec 603-525-9

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

193
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 168.1
[M+Na]+ 343.04562 176.6
[M-H]- 319.04912 172.2
[M+NH4]+ 338.09022 180.2
[M+K]+ 359.01956 172.6
[M+H-H2O]+ 303.05366 159.2
[M+HCOO]- 365.05460 184.1
[M+CH3COO]- 379.07025 203.3
[M+Na-2H]- 341.03107 171.8
[M]+ 320.05585 174.3
[M]- 320.05695 174.3
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