CID 16206120

94313-83-4

Structural Information

Molecular Formula
C20H21NO4
SMILES
CCCCOCCNC1=C2C(=C(C=C1)O)C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C20H21NO4/c1-2-3-11-25-12-10-21-15-8-9-16(22)18-17(15)19(23)13-6-4-5-7-14(13)20(18)24/h4-9,21-22H,2-3,10-12H2,1H3
InChIKey
VZCZOEKMIQRLJI-UHFFFAOYSA-N
Compound name
1-(2-butoxyethylamino)-4-hydroxyanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.14706 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.154336 177.9
[M+Na]+ 362.136278 185.4
[M-H]- 338.139784 181.7
[M+NH4]+ 357.180883 192.8
[M+K]+ 378.110218 180.4
[M+H-H2O]+ 322.144320 170.0
[M+HCOO]- 384.145261 197.3
[M+CH3COO]- 398.160911 215.3
[M+Na-2H]- 360.121726 182.3
[M]+ 339.14651142 181.3
[M]- 339.14760858 181.3
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.