CID 203435

O-anisamide, 4-amino-5-chloro-n-(2-piperidinoethyl)-

Structural Information

Molecular Formula
C15H22ClN3O2
SMILES
COC1=CC(=C(C=C1C(=O)NCCN2CCCCC2)Cl)N
InChI
InChI=1S/C15H22ClN3O2/c1-21-14-10-13(17)12(16)9-11(14)15(20)18-5-8-19-6-3-2-4-7-19/h9-10H,2-8,17H2,1H3,(H,18,20)
InChIKey
PSEIPXZUDCSBHO-UHFFFAOYSA-N
Compound name
4-amino-5-chloro-2-methoxy-N-(2-piperidin-1-ylethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

311.14005 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.14733 173.4
[M+Na]+ 334.12927 178.3
[M-H]- 310.13277 177.3
[M+NH4]+ 329.17387 186.7
[M+K]+ 350.10321 173.5
[M+H-H2O]+ 294.13731 165.4
[M+HCOO]- 356.13825 188.3
[M+CH3COO]- 370.15390 208.8
[M+Na-2H]- 332.11472 174.0
[M]+ 311.13950 171.5
[M]- 311.14060 171.5
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

patents stripe