CID 135417380

1,3-indandione, 2-(((2-piperidinoethyl)amino)methylene)-, hydrochloride

Structural Information

Molecular Formula
C17H20N2O2
SMILES
C1CCN(CC1)CCN=CC2=C(C3=CC=CC=C3C2=O)O
InChI
InChI=1S/C17H20N2O2/c20-16-13-6-2-3-7-14(13)17(21)15(16)12-18-8-11-19-9-4-1-5-10-19/h2-3,6-7,12,20H,1,4-5,8-11H2
InChIKey
IFJOUBVKCWBZCT-UHFFFAOYSA-N
Compound name
3-hydroxy-2-(2-piperidin-1-ylethyliminomethyl)inden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.15247 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.15975 166.3
[M+Na]+ 307.14169 172.2
[M-H]- 283.14519 171.9
[M+NH4]+ 302.18629 183.1
[M+K]+ 323.11563 167.3
[M+H-H2O]+ 267.14973 158.0
[M+HCOO]- 329.15067 186.4
[M+CH3COO]- 343.16632 202.4
[M+Na-2H]- 305.12714 168.6
[M]+ 284.15192 164.0
[M]- 284.15302 164.0
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.