CID 3065749

Ethyl 5,6-diphenyl-alpha-methyl-3-oxo-1,2,4-triazine-2(3h)-acetate

Structural Information

Molecular Formula
C20H19N3O3
SMILES
CCOC(=O)C(C)N1C(=O)N=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C20H19N3O3/c1-3-26-19(24)14(2)23-20(25)21-17(15-10-6-4-7-11-15)18(22-23)16-12-8-5-9-13-16/h4-14H,3H2,1-2H3
InChIKey
RCFDLAFUVHNUIO-UHFFFAOYSA-N
Compound name
ethyl 2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

349.14264 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.14992 183.2
[M+Na]+ 372.13186 190.7
[M-H]- 348.13536 188.9
[M+NH4]+ 367.17646 191.3
[M+K]+ 388.10580 185.6
[M+H-H2O]+ 332.13990 171.3
[M+HCOO]- 394.14084 201.4
[M+CH3COO]- 408.15649 213.2
[M+Na-2H]- 370.11731 186.1
[M]+ 349.14209 185.5
[M]- 349.14319 185.5
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

patents stripe