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]+ 297.192116 171.9
[M+Na]+ 319.174058 176.8
[M-H]- 295.177564 172.9
[M+NH4]+ 314.218663 185.8
[M+K]+ 335.147998 175.6
[M+H-H2O]+ 279.182100 163.6
[M+HCOO]- 341.183041 192.3
[M+CH3COO]- 355.198691 209.9
[M+Na-2H]- 317.159506 170.0
[M]+ 296.18429142 174.1
[M]- 296.18538858 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.