CID 89677

22366-99-0

Structural Information

Molecular Formula
C18H19N3O2
SMILES
CNC1=C2C(=C(C=C1)NCCCN)C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C18H19N3O2/c1-20-13-7-8-14(21-10-4-9-19)16-15(13)17(22)11-5-2-3-6-12(11)18(16)23/h2-3,5-8,20-21H,4,9-10,19H2,1H3
InChIKey
MLDHMLJPHZYBDV-UHFFFAOYSA-N
Compound name
1-(3-aminopropylamino)-4-(methylamino)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1495
Patents

309.14774 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.15502 171.8
[M+Na]+ 332.13696 183.8
[M+NH4]+ 327.18156 179.7
[M+K]+ 348.11090 175.9
[M-H]- 308.14046 176.4
[M+Na-2H]- 330.12241 176.7
[M]+ 309.14719 174.6
[M]- 309.14829 174.6
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