CID 173417

75476-94-7

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 190.6
[M+Na]+ 387.20432 202.8
[M+NH4]+ 382.24892 198.2
[M+K]+ 403.17826 193.9
[M-H]- 363.20782 194.8
[M+Na-2H]- 385.18977 194.6
[M]+ 364.21455 193.5
[M]- 364.21565 193.5
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.