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]+ 288.13426 165.6
[M+Na]+ 310.11620 175.7
[M-H]- 286.11970 170.9
[M+NH4]+ 305.16080 179.0
[M+K]+ 326.09014 172.2
[M+H-H2O]+ 270.12424 156.6
[M+HCOO]- 332.12518 188.0
[M+CH3COO]- 346.14083 206.2
[M+Na-2H]- 308.10165 168.9
[M]+ 287.12643 169.5
[M]- 287.12753 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.