CID 90702

25061-50-1

Structural Information

Molecular Formula
C22H24N2O4
SMILES
C1CCC(CC1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)OCCO
InChI
InChI=1S/C22H24N2O4/c23-20-17(28-11-10-25)12-16(24-13-6-2-1-3-7-13)18-19(20)22(27)15-9-5-4-8-14(15)21(18)26/h4-5,8-9,12-13,24-25H,1-3,6-7,10-11,23H2
InChIKey
YOHDUQBXKPGDFU-UHFFFAOYSA-N
Compound name
1-amino-4-(cyclohexylamino)-2-(2-hydroxyethoxy)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.1736 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.18088 190.0
[M+Na]+ 403.16282 201.5
[M+NH4]+ 398.20742 197.2
[M+K]+ 419.13676 194.0
[M-H]- 379.16632 195.1
[M+Na-2H]- 401.14827 193.9
[M]+ 380.17305 192.8
[M]- 380.17415 192.8
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.