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]+ 352.190716 184.6
[M+Na]+ 374.172658 191.1
[M-H]- 350.176164 188.1
[M+NH4]+ 369.217263 199.1
[M+K]+ 390.146598 185.5
[M+H-H2O]+ 334.180700 176.8
[M+HCOO]- 396.181641 202.1
[M+CH3COO]- 410.197291 219.9
[M+Na-2H]- 372.158106 186.6
[M]+ 351.18289142 186.7
[M]- 351.18398858 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