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]+ 339.156376 178.2
[M+Na]+ 361.138318 185.3
[M-H]- 337.141824 183.0
[M+NH4]+ 356.182923 186.8
[M+K]+ 377.112258 180.0
[M+H-H2O]+ 321.146360 166.4
[M+HCOO]- 383.147301 199.3
[M+CH3COO]- 397.162951 187.6
[M+Na-2H]- 359.123766 181.7
[M]+ 338.14855142 178.7
[M]- 338.14964858 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