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
2
Annotation Hits

0
References

1229
Patents

301.19025 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.197526 173.2
[M+Na]+ 324.179468 179.5
[M-H]- 300.182974 176.4
[M+NH4]+ 319.224073 185.0
[M+K]+ 340.153408 177.4
[M+H-H2O]+ 284.187510 162.7
[M+HCOO]- 346.188451 191.4
[M+CH3COO]- 360.204101 212.5
[M+Na-2H]- 322.164916 172.8
[M]+ 301.18970142 176.1
[M]- 301.19079858 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

literature stripe

Patent stripe

patents stripe