CID 303872

38528-37-9

Structural Information

Molecular Formula
C16H18N2O3
SMILES
C1COCCN1CCNC2=CC(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C16H18N2O3/c19-15-11-14(16(20)13-4-2-1-3-12(13)15)17-5-6-18-7-9-21-10-8-18/h1-4,11,17H,5-10H2
InChIKey
OJGSHVZSMUWHEU-UHFFFAOYSA-N
Compound name
2-(2-morpholin-4-ylethylamino)naphthalene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.13174 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.13902 165.0
[M+Na]+ 309.12096 170.4
[M-H]- 285.12446 170.8
[M+NH4]+ 304.16556 178.2
[M+K]+ 325.09490 167.4
[M+H-H2O]+ 269.12900 155.8
[M+HCOO]- 331.12994 182.4
[M+CH3COO]- 345.14559 203.0
[M+Na-2H]- 307.10641 170.2
[M]+ 286.13119 162.2
[M]- 286.13229 162.2
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.