CID 9578627

1-piperidineacetic acid, ((2-methyl-3-benzofuranyl)methylene)hydrazide, monohydrochloride

Structural Information

Molecular Formula
C17H21N3O2
SMILES
CC1=C(C2=CC=CC=C2O1)/C=N/NC(=O)CN3CCCCC3
InChI
InChI=1S/C17H21N3O2/c1-13-15(14-7-3-4-8-16(14)22-13)11-18-19-17(21)12-20-9-5-2-6-10-20/h3-4,7-8,11H,2,5-6,9-10,12H2,1H3,(H,19,21)/b18-11+
InChIKey
RUCINGAMUATRPC-WOJGMQOQSA-N
Compound name
N-[(E)-(2-methyl-1-benzofuran-3-yl)methylideneamino]-2-piperidin-1-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.1634 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.170676 169.8
[M+Na]+ 322.152618 175.2
[M-H]- 298.156124 177.4
[M+NH4]+ 317.197223 184.9
[M+K]+ 338.126558 172.5
[M+H-H2O]+ 282.160660 160.8
[M+HCOO]- 344.161601 192.0
[M+CH3COO]- 358.177251 208.7
[M+Na-2H]- 320.138066 174.2
[M]+ 299.16285142 169.6
[M]- 299.16394858 169.6
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.