CID 16205941

94023-27-5

Structural Information

Molecular Formula
C22H25NO3
SMILES
CCCCC(CC)CNC1=C2C(=C(C=C1)O)C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C22H25NO3/c1-3-5-8-14(4-2)13-23-17-11-12-18(24)20-19(17)21(25)15-9-6-7-10-16(15)22(20)26/h6-7,9-12,14,23-24H,3-5,8,13H2,1-2H3
InChIKey
MXZJNSQLKYADNZ-UHFFFAOYSA-N
Compound name
1-(2-ethylhexylamino)-4-hydroxyanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

351.18344 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.19072 184.6
[M+Na]+ 374.17266 191.1
[M-H]- 350.17616 188.1
[M+NH4]+ 369.21726 199.1
[M+K]+ 390.14660 185.5
[M+H-H2O]+ 334.18070 176.8
[M+HCOO]- 396.18164 202.1
[M+CH3COO]- 410.19729 219.9
[M+Na-2H]- 372.15811 186.6
[M]+ 351.18289 186.7
[M]- 351.18399 186.7
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