CID 173417

Einecs 278-219-8

Structural Information

Molecular Formula
C23H28N2O2
SMILES
CCCCC(CC)CNC1=C2C(=C(C=C1)NC)C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C23H28N2O2/c1-4-6-9-15(5-2)14-25-19-13-12-18(24-3)20-21(19)23(27)17-11-8-7-10-16(17)22(20)26/h7-8,10-13,15,24-25H,4-6,9,14H2,1-3H3
InChIKey
QJQBYILFKAVOTC-UHFFFAOYSA-N
Compound name
1-(2-ethylhexylamino)-4-(methylamino)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

364.2151 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.222376 189.5
[M+Na]+ 387.204318 195.2
[M-H]- 363.207824 194.0
[M+NH4]+ 382.248923 203.8
[M+K]+ 403.178258 189.6
[M+H-H2O]+ 347.212360 181.0
[M+HCOO]- 409.213301 208.9
[M+CH3COO]- 423.228951 228.2
[M+Na-2H]- 385.189766 191.7
[M]+ 364.21455142 191.5
[M]- 364.21564858 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.