CID 28953

2-(beta-morpholinoethylamino)tropone dihydrochloride

Structural Information

Molecular Formula
C13H18N2O2
SMILES
C1COCCN1CCNC2=CC=CC=CC2=O
InChI
InChI=1S/C13H18N2O2/c16-13-5-3-1-2-4-12(13)14-6-7-15-8-10-17-11-9-15/h1-5H,6-11H2,(H,14,16)
InChIKey
COUFVEYAHIOEMB-UHFFFAOYSA-N
Compound name
2-(2-morpholin-4-ylethylamino)cyclohepta-2,4,6-trien-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.13683 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.14411 156.5
[M+Na]+ 257.12605 166.0
[M+NH4]+ 252.17065 163.3
[M+K]+ 273.09999 161.0
[M-H]- 233.12955 160.8
[M+Na-2H]- 255.11150 162.5
[M]+ 234.13628 158.9
[M]- 234.13738 158.9
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.