CID 3074836

164071-31-2

Structural Information

Molecular Formula
C12H13N3O4
SMILES
CC1=CC2=C(C(=NN(C2=O)C)OC(=O)C)C(=O)N1C
InChI
InChI=1S/C12H13N3O4/c1-6-5-8-9(12(18)14(6)3)10(19-7(2)16)13-15(4)11(8)17/h5H,1-4H3
InChIKey
MIYPXMRQKRCNAD-UHFFFAOYSA-N
Compound name
(2,6,7-trimethyl-1,5-dioxopyrido[3,4-d]pyridazin-4-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.0906 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.09788 155.3
[M+Na]+ 286.07982 168.6
[M-H]- 262.08332 157.6
[M+NH4]+ 281.12442 170.1
[M+K]+ 302.05376 165.6
[M+H-H2O]+ 246.08786 147.5
[M+HCOO]- 308.08880 174.9
[M+CH3COO]- 322.10445 199.7
[M+Na-2H]- 284.06527 159.8
[M]+ 263.09005 161.9
[M]- 263.09115 161.9
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.