CID 3065746

108734-83-4

Structural Information

Molecular Formula
C23H25N3O5
SMILES
CCC(C(=O)OCC)N1C(=O)N=C(C(=N1)C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC
InChI
InChI=1S/C23H25N3O5/c1-5-19(22(27)31-6-2)26-23(28)24-20(15-7-11-17(29-3)12-8-15)21(25-26)16-9-13-18(30-4)14-10-16/h7-14,19H,5-6H2,1-4H3
InChIKey
FGZCPFGUIQVTMU-UHFFFAOYSA-N
Compound name
ethyl 2-[5,6-bis(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.1794 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.18668 201.6
[M+Na]+ 446.16862 216.7
[M+NH4]+ 441.21322 205.6
[M+K]+ 462.14256 210.4
[M-H]- 422.17212 204.8
[M+Na-2H]- 444.15407 209.4
[M]+ 423.17885 204.6
[M]- 423.17995 204.6
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.