CID 3065745

108734-80-1

Structural Information

Molecular Formula
C22H23N3O5
SMILES
CCOC(=O)C(C)N1C(=O)N=C(C(=N1)C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC
InChI
InChI=1S/C22H23N3O5/c1-5-30-21(26)14(2)25-22(27)23-19(15-6-10-17(28-3)11-7-15)20(24-25)16-8-12-18(29-4)13-9-16/h6-14H,5H2,1-4H3
InChIKey
IDHLTDILBLXCDR-UHFFFAOYSA-N
Compound name
ethyl 2-[5,6-bis(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.16376 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.17104 197.3
[M+Na]+ 432.15298 212.5
[M+NH4]+ 427.19758 201.4
[M+K]+ 448.12692 206.4
[M-H]- 408.15648 200.4
[M+Na-2H]- 430.13843 205.3
[M]+ 409.16321 200.3
[M]- 409.16431 200.3
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.