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 202.1
[M+Na]+ 446.16862 209.5
[M-H]- 422.17212 208.1
[M+NH4]+ 441.21322 207.5
[M+K]+ 462.14256 205.5
[M+H-H2O]+ 406.17666 189.5
[M+HCOO]- 468.17760 219.5
[M+CH3COO]- 482.19325 228.7
[M+Na-2H]- 444.15407 202.2
[M]+ 423.17885 209.0
[M]- 423.17995 209.0
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.