CID 211524

23280-58-2

Structural Information

Molecular Formula
C16H25N3O
SMILES
CCN1CCC(N1CC)C(=O)NC2=C(C=CC=C2C)C
InChI
InChI=1S/C16H25N3O/c1-5-18-11-10-14(19(18)6-2)16(20)17-15-12(3)8-7-9-13(15)4/h7-9,14H,5-6,10-11H2,1-4H3,(H,17,20)
InChIKey
DTOUMJUFIGMSKX-UHFFFAOYSA-N
Compound name
N-(2,6-dimethylphenyl)-1,2-diethylpyrazolidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.19977 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.207046 168.6
[M+Na]+ 298.188988 175.1
[M-H]- 274.192494 172.6
[M+NH4]+ 293.233593 184.2
[M+K]+ 314.162928 171.5
[M+H-H2O]+ 258.197030 160.1
[M+HCOO]- 320.197971 188.1
[M+CH3COO]- 334.213621 204.9
[M+Na-2H]- 296.174436 167.5
[M]+ 275.19922142 168.3
[M]- 275.20031858 168.3
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

No patent data available for this compound.