CID 211543

Brn 0661043

Structural Information

Molecular Formula
C14H21N3O
SMILES
CC1=C(C(=CC=C1)C)NC(=O)C2CCN(N2C)C
InChI
InChI=1S/C14H21N3O/c1-10-6-5-7-11(2)13(10)15-14(18)12-8-9-16(3)17(12)4/h5-7,12H,8-9H2,1-4H3,(H,15,18)
InChIKey
HKFAFUJLRDYWCQ-UHFFFAOYSA-N
Compound name
N-(2,6-dimethylphenyl)-1,2-dimethylpyrazolidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.16846 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.17574 159.6
[M+Na]+ 270.15768 167.0
[M-H]- 246.16118 164.0
[M+NH4]+ 265.20228 176.3
[M+K]+ 286.13162 163.8
[M+H-H2O]+ 230.16572 151.5
[M+HCOO]- 292.16666 179.7
[M+CH3COO]- 306.18231 198.9
[M+Na-2H]- 268.14313 159.5
[M]+ 247.16791 158.5
[M]- 247.16901 158.5
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.