CID 31118

22295-80-3

Structural Information

Molecular Formula
C17H19ClN2O3
SMILES
C1COCCN1CCCNC2=C(C(=O)C3=CC=CC=C3C2=O)Cl
InChI
InChI=1S/C17H19ClN2O3/c18-14-15(19-6-3-7-20-8-10-23-11-9-20)17(22)13-5-2-1-4-12(13)16(14)21/h1-2,4-5,19H,3,6-11H2
InChIKey
RPUHFSULFZXFBS-UHFFFAOYSA-N
Compound name
2-chloro-3-(3-morpholin-4-ylpropylamino)naphthalene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

1
Patents

334.10843 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.11571 176.3
[M+Na]+ 357.09765 189.8
[M+NH4]+ 352.14225 184.0
[M+K]+ 373.07159 181.8
[M-H]- 333.10115 181.7
[M+Na-2H]- 355.08310 181.4
[M]+ 334.10788 179.9
[M]- 334.10898 179.9
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

patents stripe