CID 211087

2-methyl-1-pyrazolidinepropiono-2',6'-xylidide

Structural Information

Molecular Formula
C15H23N3O
SMILES
CC1=C(C(=CC=C1)C)NC(=O)CCN2CCCN2C
InChI
InChI=1S/C15H23N3O/c1-12-6-4-7-13(2)15(12)16-14(19)8-11-18-10-5-9-17(18)3/h4,6-7H,5,8-11H2,1-3H3,(H,16,19)
InChIKey
TZOQYQFIVKVJRU-UHFFFAOYSA-N
Compound name
N-(2,6-dimethylphenyl)-3-(2-methylpyrazolidin-1-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.1841 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.19138 164.2
[M+Na]+ 284.17332 170.2
[M-H]- 260.17682 168.0
[M+NH4]+ 279.21792 180.0
[M+K]+ 300.14726 166.7
[M+H-H2O]+ 244.18136 155.5
[M+HCOO]- 306.18230 184.0
[M+CH3COO]- 320.19795 200.7
[M+Na-2H]- 282.15877 164.3
[M]+ 261.18355 163.1
[M]- 261.18465 163.1
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.