CID 369228

4-(dihexylamino)naphthalene-1,2-dione

Structural Information

Molecular Formula
C22H31NO2
SMILES
CCCCCCN(CCCCCC)C1=CC(=O)C(=O)C2=CC=CC=C21
InChI
InChI=1S/C22H31NO2/c1-3-5-7-11-15-23(16-12-8-6-4-2)20-17-21(24)22(25)19-14-10-9-13-18(19)20/h9-10,13-14,17H,3-8,11-12,15-16H2,1-2H3
InChIKey
QBXBFZZCMCHOPK-UHFFFAOYSA-N
Compound name
4-(dihexylamino)naphthalene-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.23547 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.242746 186.7
[M+Na]+ 364.224688 191.2
[M-H]- 340.228194 191.0
[M+NH4]+ 359.269293 201.8
[M+K]+ 380.198628 186.9
[M+H-H2O]+ 324.232730 178.2
[M+HCOO]- 386.233671 207.4
[M+CH3COO]- 400.249321 222.3
[M+Na-2H]- 362.210136 187.5
[M]+ 341.23492142 191.5
[M]- 341.23601858 191.5
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.