CID 102955

3224-15-5

Structural Information

Molecular Formula
C18H17NO5
SMILES
CC(CCOC1=C(C2=C(C(=C1)O)C(=O)C3=CC=CC=C3C2=O)N)O
InChI
InChI=1S/C18H17NO5/c1-9(20)6-7-24-13-8-12(21)14-15(16(13)19)18(23)11-5-3-2-4-10(11)17(14)22/h2-5,8-9,20-21H,6-7,19H2,1H3
InChIKey
QDUNJVJBFUFOKM-UHFFFAOYSA-N
Compound name
1-amino-4-hydroxy-2-(3-hydroxybutoxy)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

327.1107 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.11798 173.8
[M+Na]+ 350.09992 185.8
[M+NH4]+ 345.14452 180.2
[M+K]+ 366.07386 180.4
[M-H]- 326.10342 175.3
[M+Na-2H]- 348.08537 176.2
[M]+ 327.11015 175.7
[M]- 327.11125 175.7
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