CID 125512599

2137758-17-7

Structural Information

Molecular Formula
C15H17N3O3
SMILES
CC1=C(C=C(C=C1)C(=O)OC)C2=C(C=NN(C2=O)C)NC
InChI
InChI=1S/C15H17N3O3/c1-9-5-6-10(15(20)21-4)7-11(9)13-12(16-2)8-17-18(3)14(13)19/h5-8,16H,1-4H3
InChIKey
VQGGVDOUUBWXLW-UHFFFAOYSA-N
Compound name
methyl 4-methyl-3-[2-methyl-5-(methylamino)-3-oxopyridazin-4-yl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.12698 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.134256 165.6
[M+Na]+ 310.116198 175.7
[M-H]- 286.119704 170.9
[M+NH4]+ 305.160803 179.0
[M+K]+ 326.090138 172.2
[M+H-H2O]+ 270.124240 156.6
[M+HCOO]- 332.125181 188.0
[M+CH3COO]- 346.140831 206.2
[M+Na-2H]- 308.101646 168.9
[M]+ 287.12643142 169.5
[M]- 287.12752858 169.5
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

No patent data available for this compound.