CID 23062166

295800-70-3

Structural Information

Molecular Formula
C30H42N2O4
SMILES
CCCCC(CC)CNC1=C2C(=C(C=C1)NCC(CC)CCCC)C(=O)C3=C(C=CC(=C3C2=O)O)O
InChI
InChI=1S/C30H42N2O4/c1-5-9-11-19(7-3)17-31-21-13-14-22(32-18-20(8-4)12-10-6-2)26-25(21)29(35)27-23(33)15-16-24(34)28(27)30(26)36/h13-16,19-20,31-34H,5-12,17-18H2,1-4H3
InChIKey
HJPZLFBZKDXVOA-UHFFFAOYSA-N
Compound name
1,4-bis(2-ethylhexylamino)-5,8-dihydroxyanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

494.31445 Da
Monoisotopic Mass

9.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 495.32173 227.8
[M+Na]+ 517.30367 236.7
[M+NH4]+ 512.34827 232.1
[M+K]+ 533.27761 229.1
[M-H]- 493.30717 229.5
[M+Na-2H]- 515.28912 227.0
[M]+ 494.31390 229.2
[M]- 494.31500 229.2
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