CID 89968867

Dimpropyridaz

Structural Information

Molecular Formula
C16H23N5O
SMILES
CCN(C1=CN=NC=C1)C(=O)C2=C(N(N=C2)C(C)C(C)C)C
InChI
InChI=1S/C16H23N5O/c1-6-20(14-7-8-17-18-9-14)16(22)15-10-19-21(13(15)5)12(4)11(2)3/h7-12H,6H2,1-5H3
InChIKey
NQPGZXOPMRKAGJ-UHFFFAOYSA-N
Compound name
N-ethyl-5-methyl-1-(3-methylbutan-2-yl)-N-pyridazin-4-ylpyrazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1217
Patents

301.19025 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.19753 173.2
[M+Na]+ 324.17947 179.5
[M-H]- 300.18297 176.4
[M+NH4]+ 319.22407 185.0
[M+K]+ 340.15341 177.4
[M+H-H2O]+ 284.18751 162.7
[M+HCOO]- 346.18845 191.4
[M+CH3COO]- 360.20410 212.5
[M+Na-2H]- 322.16492 172.8
[M]+ 301.18970 176.1
[M]- 301.19080 176.1
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.