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
2
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 187.0
[M+Na]+ 403.16282 191.9
[M-H]- 379.16632 192.6
[M+NH4]+ 398.20742 199.0
[M+K]+ 419.13676 186.5
[M+H-H2O]+ 363.17086 177.9
[M+HCOO]- 425.17180 203.0
[M+CH3COO]- 439.18745 225.0
[M+Na-2H]- 401.14827 189.0
[M]+ 380.17305 183.1
[M]- 380.17415 183.1
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.