CID 14094541

94313-76-5

Structural Information

Molecular Formula
C20H21NO5
SMILES
CCCCOCCNC1=CC(=C2C(=C1O)C(=O)C3=CC=CC=C3C2=O)O
InChI
InChI=1S/C20H21NO5/c1-2-3-9-26-10-8-21-14-11-15(22)16-17(20(14)25)19(24)13-7-5-4-6-12(13)18(16)23/h4-7,11,21-22,25H,2-3,8-10H2,1H3
InChIKey
RWOKTCVFQFPYSE-UHFFFAOYSA-N
Compound name
2-(2-butoxyethylamino)-1,4-dihydroxyanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

355.14197 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.149246 180.8
[M+Na]+ 378.131188 188.6
[M-H]- 354.134694 183.6
[M+NH4]+ 373.175793 194.6
[M+K]+ 394.105128 183.7
[M+H-H2O]+ 338.139230 173.3
[M+HCOO]- 400.140171 198.8
[M+CH3COO]- 414.155821 216.7
[M+Na-2H]- 376.116636 184.4
[M]+ 355.14142142 184.4
[M]- 355.14251858 184.4
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