CID 16790446

5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylaniline

Structural Information

Molecular Formula
C15H22N2O
SMILES
CC1CC(CN(C1)C(=O)C2=CC(=C(C=C2)C)N)C
InChI
InChI=1S/C15H22N2O/c1-10-6-11(2)9-17(8-10)15(18)13-5-4-12(3)14(16)7-13/h4-5,7,10-11H,6,8-9,16H2,1-3H3
InChIKey
VHAPCOSHZCMPRJ-UHFFFAOYSA-N
Compound name
(3-amino-4-methylphenyl)-(3,5-dimethylpiperidin-1-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.17322 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.18050 160.1
[M+Na]+ 269.16244 166.2
[M-H]- 245.16594 164.8
[M+NH4]+ 264.20704 176.0
[M+K]+ 285.13638 162.7
[M+H-H2O]+ 229.17048 152.3
[M+HCOO]- 291.17142 178.3
[M+CH3COO]- 305.18707 199.1
[M+Na-2H]- 267.14789 159.9
[M]+ 246.17267 155.7
[M]- 246.17377 155.7
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.