CID 3065748

Methyl 5,6-bis(4-methoxyphenyl)-alpha-methyl-3-oxo-1,2,4-triazine-2(3h)-acetate

Structural Information

Molecular Formula
C21H21N3O5
SMILES
CC(C(=O)OC)N1C(=O)N=C(C(=N1)C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC
InChI
InChI=1S/C21H21N3O5/c1-13(20(25)29-4)24-21(26)22-18(14-5-9-16(27-2)10-6-14)19(23-24)15-7-11-17(28-3)12-8-15/h5-13H,1-4H3
InChIKey
JQRNRQMDIKNEMK-UHFFFAOYSA-N
Compound name
methyl 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

395.14813 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.15541 192.9
[M+Na]+ 418.13735 208.3
[M+NH4]+ 413.18195 197.2
[M+K]+ 434.11129 202.5
[M-H]- 394.14085 196.1
[M+Na-2H]- 416.12280 201.2
[M]+ 395.14758 195.9
[M]- 395.14868 195.9
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.