CID 375436

Nsc655159

Structural Information

Molecular Formula
C14H24N4O3
SMILES
CCN(CC)C(=O)CC1=C(C(=O)NN1)C(=O)N(CC)CC
InChI
InChI=1S/C14H24N4O3/c1-5-17(6-2)11(19)9-10-12(13(20)16-15-10)14(21)18(7-3)8-4/h5-9H2,1-4H3,(H2,15,16,20)
InChIKey
NJPDYDRNQOFFTM-UHFFFAOYSA-N
Compound name
3-[2-(diethylamino)-2-oxoethyl]-N,N-diethyl-5-oxo-1,2-dihydropyrazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.18484 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.19212 171.9
[M+Na]+ 319.17406 176.8
[M-H]- 295.17756 172.9
[M+NH4]+ 314.21866 185.8
[M+K]+ 335.14800 175.6
[M+H-H2O]+ 279.18210 163.6
[M+HCOO]- 341.18304 192.3
[M+CH3COO]- 355.19869 209.9
[M+Na-2H]- 317.15951 170.0
[M]+ 296.18429 174.1
[M]- 296.18539 174.1
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.