CID 3071746

9,10-anthracenedione, 1-(3-aminopropoxy)-

Structural Information

Molecular Formula
C17H15NO3
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)OCCCN
InChI
InChI=1S/C17H15NO3/c18-9-4-10-21-14-8-3-7-13-15(14)17(20)12-6-2-1-5-11(12)16(13)19/h1-3,5-8H,4,9-10,18H2
InChIKey
NBWAZIMZWZUAOL-UHFFFAOYSA-N
Compound name
1-(3-aminopropoxy)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

281.1052 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.11248 161.7
[M+Na]+ 304.09442 170.5
[M-H]- 280.09792 166.7
[M+NH4]+ 299.13902 179.4
[M+K]+ 320.06836 165.7
[M+H-H2O]+ 264.10246 154.3
[M+HCOO]- 326.10340 183.0
[M+CH3COO]- 340.11905 204.6
[M+Na-2H]- 302.07987 167.7
[M]+ 281.10465 163.2
[M]- 281.10575 163.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.