CID 31108

22272-09-9

Structural Information

Molecular Formula
C15H17ClN2O2
SMILES
CN(C)CCCNC1=C(C(=O)C2=CC=CC=C2C1=O)Cl
InChI
InChI=1S/C15H17ClN2O2/c1-18(2)9-5-8-17-13-12(16)14(19)10-6-3-4-7-11(10)15(13)20/h3-4,6-7,17H,5,8-9H2,1-2H3
InChIKey
FLTZGMPLSGEVAO-UHFFFAOYSA-N
Compound name
2-chloro-3-[3-(dimethylamino)propylamino]naphthalene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

292.09787 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.10515 165.5
[M+Na]+ 315.08709 174.0
[M-H]- 291.09059 171.3
[M+NH4]+ 310.13169 183.5
[M+K]+ 331.06103 169.6
[M+H-H2O]+ 275.09513 159.3
[M+HCOO]- 337.09607 185.2
[M+CH3COO]- 351.11172 211.3
[M+Na-2H]- 313.07254 169.4
[M]+ 292.09732 169.9
[M]- 292.09842 169.9
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.