CID 9578627

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

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]+ 300.17068 169.8
[M+Na]+ 322.15262 175.2
[M-H]- 298.15612 177.4
[M+NH4]+ 317.19722 184.9
[M+K]+ 338.12656 172.5
[M+H-H2O]+ 282.16066 160.8
[M+HCOO]- 344.16160 192.0
[M+CH3COO]- 358.17725 208.7
[M+Na-2H]- 320.13807 174.2
[M]+ 299.16285 169.6
[M]- 299.16395 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.