CID 312590

331462-38-5

Structural Information

Molecular Formula
C17H21ClN2O2
SMILES
CCN(CC)CCCNC1=C(C(=O)C2=CC=CC=C2C1=O)Cl
InChI
InChI=1S/C17H21ClN2O2/c1-3-20(4-2)11-7-10-19-15-14(18)16(21)12-8-5-6-9-13(12)17(15)22/h5-6,8-9,19H,3-4,7,10-11H2,1-2H3
InChIKey
FWCXWRNANHZFAU-UHFFFAOYSA-N
Compound name
2-chloro-3-[3-(diethylamino)propylamino]naphthalene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

320.12915 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.13643 174.8
[M+Na]+ 343.11837 182.5
[M-H]- 319.12187 180.2
[M+NH4]+ 338.16297 191.7
[M+K]+ 359.09231 177.6
[M+H-H2O]+ 303.12641 168.2
[M+HCOO]- 365.12735 193.8
[M+CH3COO]- 379.14300 217.3
[M+Na-2H]- 341.10382 177.6
[M]+ 320.12860 179.9
[M]- 320.12970 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

No patent data available for this compound.