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]+ 342.24275 186.7
[M+Na]+ 364.22469 191.2
[M-H]- 340.22819 191.0
[M+NH4]+ 359.26929 201.8
[M+K]+ 380.19863 186.9
[M+H-H2O]+ 324.23273 178.2
[M+HCOO]- 386.23367 207.4
[M+CH3COO]- 400.24932 222.3
[M+Na-2H]- 362.21014 187.5
[M]+ 341.23492 191.5
[M]- 341.23602 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.