CID 312585

69895-75-6

Structural Information

Molecular Formula
C16H19ClN2O2
SMILES
CCN(CC)CCNC1=C(C(=O)C2=CC=CC=C2C1=O)Cl
InChI
InChI=1S/C16H19ClN2O2/c1-3-19(4-2)10-9-18-14-13(17)15(20)11-7-5-6-8-12(11)16(14)21/h5-8,18H,3-4,9-10H2,1-2H3
InChIKey
ZRJOCFUFHFVZKH-UHFFFAOYSA-N
Compound name
2-chloro-3-[2-(diethylamino)ethylamino]naphthalene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.1135 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.12078 170.1
[M+Na]+ 329.10272 178.2
[M-H]- 305.10622 175.8
[M+NH4]+ 324.14732 187.6
[M+K]+ 345.07666 173.6
[M+H-H2O]+ 289.11076 163.7
[M+HCOO]- 351.11170 189.5
[M+CH3COO]- 365.12735 214.3
[M+Na-2H]- 327.08817 173.5
[M]+ 306.11295 174.9
[M]- 306.11405 174.9
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.