CID 541364

2-octadecylamino-1,4-naphthoquinone

Structural Information

Molecular Formula
C28H43NO2
SMILES
CCCCCCCCCCCCCCCCCCNC1=CC(=O)C2=CC=CC=C2C1=O
InChI
InChI=1S/C28H43NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-29-26-23-27(30)24-20-17-18-21-25(24)28(26)31/h17-18,20-21,23,29H,2-16,19,22H2,1H3
InChIKey
ZWRYMFSTJOTECJ-UHFFFAOYSA-N
Compound name
2-(octadecylamino)naphthalene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

425.32938 Da
Monoisotopic Mass

10.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.33666 212.8
[M+Na]+ 448.31860 214.5
[M-H]- 424.32210 214.3
[M+NH4]+ 443.36320 223.7
[M+K]+ 464.29254 207.4
[M+H-H2O]+ 408.32664 203.2
[M+HCOO]- 470.32758 230.9
[M+CH3COO]- 484.34323 236.8
[M+Na-2H]- 446.30405 211.3
[M]+ 425.32883 218.5
[M]- 425.32993 218.5
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

patents stripe