CID 3041065

Brn 1392232

Structural Information

Molecular Formula
C17H25N3O2
SMILES
CC1CCCN(C1)CC(=O)NC(=O)NC2=CC(=C(C=C2)C)C
InChI
InChI=1S/C17H25N3O2/c1-12-5-4-8-20(10-12)11-16(21)19-17(22)18-15-7-6-13(2)14(3)9-15/h6-7,9,12H,4-5,8,10-11H2,1-3H3,(H2,18,19,21,22)
InChIKey
IXKJZBKSCGZHRW-UHFFFAOYSA-N
Compound name
N-[(3,4-dimethylphenyl)carbamoyl]-2-(3-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]+ 304.20195 174.7
[M+Na]+ 326.18389 178.1
[M-H]- 302.18739 179.2
[M+NH4]+ 321.22849 187.7
[M+K]+ 342.15783 175.0
[M+H-H2O]+ 286.19193 165.9
[M+HCOO]- 348.19287 193.4
[M+CH3COO]- 362.20852 210.6
[M+Na-2H]- 324.16934 174.6
[M]+ 303.19412 170.9
[M]- 303.19522 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.