CID 6410561

Brn 0898833

Structural Information

Molecular Formula
C17H18N6O2
SMILES
CCOC(=O)C1=C(N(N=C1)C2=NN=C(C=C2)NCC3=CC=CC=C3)N
InChI
InChI=1S/C17H18N6O2/c1-2-25-17(24)13-11-20-23(16(13)18)15-9-8-14(21-22-15)19-10-12-6-4-3-5-7-12/h3-9,11H,2,10,18H2,1H3,(H,19,21)
InChIKey
OIWCIRNTKPFHBC-UHFFFAOYSA-N
Compound name
ethyl 5-amino-1-[6-(benzylamino)pyridazin-3-yl]pyrazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

338.1491 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.15638 178.2
[M+Na]+ 361.13832 185.3
[M-H]- 337.14182 183.0
[M+NH4]+ 356.18292 186.8
[M+K]+ 377.11226 180.0
[M+H-H2O]+ 321.14636 166.4
[M+HCOO]- 383.14730 199.3
[M+CH3COO]- 397.16295 187.6
[M+Na-2H]- 359.12377 181.7
[M]+ 338.14855 178.7
[M]- 338.14965 178.7
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

patents stripe