CID 24208962

853318-19-1

Structural Information

Molecular Formula
C20H20N2O4
SMILES
CCC1=C(C(=C2N1N=C(C=C2)C3=CC=C(C=C3)C)C(=O)OC)C(=O)OC
InChI
InChI=1S/C20H20N2O4/c1-5-15-17(19(23)25-3)18(20(24)26-4)16-11-10-14(21-22(15)16)13-8-6-12(2)7-9-13/h6-11H,5H2,1-4H3
InChIKey
MQKXSUKHKDCPMA-UHFFFAOYSA-N
Compound name
dimethyl 7-ethyl-2-(4-methylphenyl)pyrrolo[1,2-b]pyridazine-5,6-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.1423 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.14958 183.1
[M+Na]+ 375.13152 197.5
[M+NH4]+ 370.17612 189.0
[M+K]+ 391.10546 193.1
[M-H]- 351.13502 185.2
[M+Na-2H]- 373.11697 188.8
[M]+ 352.14175 185.7
[M]- 352.14285 185.7
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.