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]+ 365.22238 189.5
[M+Na]+ 387.20432 195.2
[M-H]- 363.20782 194.0
[M+NH4]+ 382.24892 203.8
[M+K]+ 403.17826 189.6
[M+H-H2O]+ 347.21236 181.0
[M+HCOO]- 409.21330 208.9
[M+CH3COO]- 423.22895 228.2
[M+Na-2H]- 385.18977 191.7
[M]+ 364.21455 191.5
[M]- 364.21565 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.