CID 44575

63639-45-2

Structural Information

Molecular Formula
C15H22ClN3O2
SMILES
CCN1CCC(CC1)NC(=O)C2=CC(=C(C=C2OC)N)Cl
InChI
InChI=1S/C15H22ClN3O2/c1-3-19-6-4-10(5-7-19)18-15(20)11-8-12(16)13(17)9-14(11)21-2/h8-10H,3-7,17H2,1-2H3,(H,18,20)
InChIKey
APDRIMSIHRLFQL-UHFFFAOYSA-N
Compound name
4-amino-5-chloro-N-(1-ethylpiperidin-4-yl)-2-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

311.14005 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.14733 174.0
[M+Na]+ 334.12927 179.8
[M-H]- 310.13277 178.3
[M+NH4]+ 329.17387 187.6
[M+K]+ 350.10321 175.1
[M+H-H2O]+ 294.13731 166.2
[M+HCOO]- 356.13825 188.8
[M+CH3COO]- 370.15390 210.1
[M+Na-2H]- 332.11472 173.7
[M]+ 311.13950 172.5
[M]- 311.14060 172.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.