CID 135417382

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

Structural Information

Molecular Formula
C16H18N2O3
SMILES
C1COCCN1CCN=CC2=C(C3=CC=CC=C3C2=O)O
InChI
InChI=1S/C16H18N2O3/c19-15-12-3-1-2-4-13(12)16(20)14(15)11-17-5-6-18-7-9-21-10-8-18/h1-4,11,19H,5-10H2
InChIKey
PHJKZVXWGTUNPK-UHFFFAOYSA-N
Compound name
3-hydroxy-2-(2-morpholin-4-ylethyliminomethyl)inden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

286.13174 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.13902 165.1
[M+Na]+ 309.12096 171.5
[M-H]- 285.12446 171.5
[M+NH4]+ 304.16556 180.5
[M+K]+ 325.09490 168.4
[M+H-H2O]+ 269.12900 157.0
[M+HCOO]- 331.12994 184.9
[M+CH3COO]- 345.14559 201.7
[M+Na-2H]- 307.10641 168.7
[M]+ 286.13119 164.5
[M]- 286.13229 164.5
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.