CID 109547

68133-70-0

Structural Information

Molecular Formula
C22H18N2O5
SMILES
C1=CC=C(C=C1)NC2=C3C(=C(C=C2)O)C(=O)C4=C(C=CC(=C4C3=O)O)NCCO
InChI
InChI=1S/C22H18N2O5/c25-11-10-23-13-6-8-15(26)19-17(13)21(28)20-16(27)9-7-14(18(20)22(19)29)24-12-4-2-1-3-5-12/h1-9,23-27H,10-11H2
InChIKey
NGNAFXRFKWRTKB-UHFFFAOYSA-N
Compound name
1-anilino-4,8-dihydroxy-5-(2-hydroxyethylamino)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.12158 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.12886 191.6
[M+Na]+ 413.11080 204.9
[M+NH4]+ 408.15540 197.8
[M+K]+ 429.08474 197.8
[M-H]- 389.11430 196.1
[M+Na-2H]- 411.09625 196.6
[M]+ 390.12103 194.5
[M]- 390.12213 194.5
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.