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
4
Annotation Hits

0
References

11
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 166.1
[M+Na]+ 325.07949 173.4
[M-H]- 301.08299 168.9
[M+NH4]+ 320.12409 177.1
[M+K]+ 341.05343 170.3
[M+H-H2O]+ 285.08753 156.7
[M+HCOO]- 347.08847 185.5
[M+CH3COO]- 361.10412 198.8
[M+Na-2H]- 323.06494 169.6
[M]+ 302.08972 169.0
[M]- 302.09082 169.0
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

No patent data available for this compound.