CID 43448269

3-amino-4-(3-methyl-1-piperidinyl)benzamide

Structural Information

Molecular Formula
C13H19N3O
SMILES
CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)N)N
InChI
InChI=1S/C13H19N3O/c1-9-3-2-6-16(8-9)12-5-4-10(13(15)17)7-11(12)14/h4-5,7,9H,2-3,6,8,14H2,1H3,(H2,15,17)
InChIKey
RCECLIJCWZSIRW-UHFFFAOYSA-N
Compound name
3-amino-4-(3-methylpiperidin-1-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.15282 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.160096 155.3
[M+Na]+ 256.142038 160.4
[M-H]- 232.145544 159.3
[M+NH4]+ 251.186643 170.7
[M+K]+ 272.115978 156.9
[M+H-H2O]+ 216.150080 147.2
[M+HCOO]- 278.151021 174.6
[M+CH3COO]- 292.166671 197.0
[M+Na-2H]- 254.127486 156.3
[M]+ 233.15227142 148.2
[M]- 233.15336858 148.2
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.