CID 139596667

Dtxsid401028243

Structural Information

Molecular Formula
C21H17N3O6
SMILES
CO/C=C(\C1=CC=CC=C1OC2=CC(=NC=N2)OC3=CC=CC=C3C(=O)N)/C(=O)O
InChI
InChI=1S/C21H17N3O6/c1-28-11-15(21(26)27)13-6-2-4-8-16(13)29-18-10-19(24-12-23-18)30-17-9-5-3-7-14(17)20(22)25/h2-12H,1H3,(H2,22,25)(H,26,27)/b15-11+
InChIKey
PRXZOABWHBODES-RVDMUPIBSA-N
Compound name
(E)-2-[2-[6-(2-carbamoylphenoxy)pyrimidin-4-yl]oxyphenyl]-3-methoxyprop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

407.11172 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.11900 193.4
[M+Na]+ 430.10094 205.4
[M+NH4]+ 425.14554 196.6
[M+K]+ 446.07488 201.3
[M-H]- 406.10444 196.0
[M+Na-2H]- 428.08639 200.5
[M]+ 407.11117 195.4
[M]- 407.11227 195.4
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

No patent data available for this compound.