CID 56605174

141190-60-5

Structural Information

Molecular Formula
C15H14N2O5
SMILES
CO/C=C(\C1=CC=CC=C1OC2=CC(=O)NC=N2)/C(=O)OC
InChI
InChI=1S/C15H14N2O5/c1-20-8-11(15(19)21-2)10-5-3-4-6-12(10)22-14-7-13(18)16-9-17-14/h3-9H,1-2H3,(H,16,17,18)/b11-8+
InChIKey
BZDLYNKTMVTESG-DHZHZOJOSA-N
Compound name
methyl (E)-3-methoxy-2-[2-[(6-oxo-1H-pyrimidin-4-yl)oxy]phenyl]prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

9
Patents

302.09027 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.09755 167.0
[M+Na]+ 325.07949 179.5
[M+NH4]+ 320.12409 171.4
[M+K]+ 341.05343 174.8
[M-H]- 301.08299 167.3
[M+Na-2H]- 323.06494 173.2
[M]+ 302.08972 168.5
[M]- 302.09082 168.5
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