CID 32141

1,4-naphthoquinone, 2-(cyclohexylmethylamino)-

Structural Information

Molecular Formula
C17H19NO2
SMILES
C1CCC(CC1)CNC2=CC(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C17H19NO2/c19-16-10-15(18-11-12-6-2-1-3-7-12)17(20)14-9-5-4-8-13(14)16/h4-5,8-10,12,18H,1-3,6-7,11H2
InChIKey
APKLSLPCCKQFQY-UHFFFAOYSA-N
Compound name
2-(cyclohexylmethylamino)naphthalene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

269.14157 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.148846 160.7
[M+Na]+ 292.130788 165.6
[M-H]- 268.134294 167.1
[M+NH4]+ 287.175393 177.4
[M+K]+ 308.104728 161.0
[M+H-H2O]+ 252.138830 152.6
[M+HCOO]- 314.139771 179.8
[M+CH3COO]- 328.155421 201.0
[M+Na-2H]- 290.116236 164.6
[M]+ 269.14102142 155.6
[M]- 269.14211858 155.6
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