CID 412184

Nsc37858

Structural Information

Molecular Formula
C20H21NO4
SMILES
CCN(CC)CCOC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)O
InChI
InChI=1S/C20H21NO4/c1-3-21(4-2)11-12-25-16-10-9-15-17(20(16)24)19(23)14-8-6-5-7-13(14)18(15)22/h5-10,24H,3-4,11-12H2,1-2H3
InChIKey
VTJBLEXKAAZZSL-UHFFFAOYSA-N
Compound name
2-[2-(diethylamino)ethoxy]-1-hydroxyanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

339.14706 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.15434 178.2
[M+Na]+ 362.13628 185.8
[M-H]- 338.13978 183.4
[M+NH4]+ 357.18088 193.7
[M+K]+ 378.11022 182.1
[M+H-H2O]+ 322.14432 170.1
[M+HCOO]- 384.14526 198.0
[M+CH3COO]- 398.16091 218.5
[M+Na-2H]- 360.12173 181.8
[M]+ 339.14651 182.8
[M]- 339.14761 182.8
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.