CID 10802699

Hc red no. 8

Structural Information

Molecular Formula
C17H16N2O2
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)NCCCN
InChI
InChI=1S/C17H16N2O2/c18-9-4-10-19-14-8-3-7-13-15(14)17(21)12-6-2-1-5-11(12)16(13)20/h1-3,5-8,19H,4,9-10,18H2
InChIKey
MLVKRZHLEQPZTP-UHFFFAOYSA-N
Compound name
1-(3-aminopropylamino)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

713
Patents

280.1212 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.12848 163.5
[M+Na]+ 303.11042 176.7
[M+NH4]+ 298.15502 172.1
[M+K]+ 319.08436 168.4
[M-H]- 279.11392 167.9
[M+Na-2H]- 301.09587 169.2
[M]+ 280.12065 166.5
[M]- 280.12175 166.5
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

patents stripe