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]+ 381.180876 187.0
[M+Na]+ 403.162818 191.9
[M-H]- 379.166324 192.6
[M+NH4]+ 398.207423 199.0
[M+K]+ 419.136758 186.5
[M+H-H2O]+ 363.170860 177.9
[M+HCOO]- 425.171801 203.0
[M+CH3COO]- 439.187451 225.0
[M+Na-2H]- 401.148266 189.0
[M]+ 380.17305142 183.1
[M]- 380.17414858 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.