CID 3041059

Brn 1388989

Structural Information

Molecular Formula
C17H25N3O2
SMILES
CC1CCCCN1CC(=O)NC(=O)NC2=CC(=C(C=C2)C)C
InChI
InChI=1S/C17H25N3O2/c1-12-7-8-15(10-13(12)2)18-17(22)19-16(21)11-20-9-5-4-6-14(20)3/h7-8,10,14H,4-6,9,11H2,1-3H3,(H2,18,19,21,22)
InChIKey
UACIZSDIFVCOAK-UHFFFAOYSA-N
Compound name
N-[(3,4-dimethylphenyl)carbamoyl]-2-(2-methylpiperidin-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.19467 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.201946 174.7
[M+Na]+ 326.183888 178.1
[M-H]- 302.187394 179.2
[M+NH4]+ 321.228493 187.7
[M+K]+ 342.157828 175.0
[M+H-H2O]+ 286.191930 165.9
[M+HCOO]- 348.192871 193.4
[M+CH3COO]- 362.208521 210.6
[M+Na-2H]- 324.169336 174.6
[M]+ 303.19412142 170.9
[M]- 303.19521858 170.9
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.