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
3
Annotation Hits

0
References

2002
Patents

309.14774 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.155016 169.3
[M+Na]+ 332.136958 176.9
[M-H]- 308.140464 174.3
[M+NH4]+ 327.181563 185.5
[M+K]+ 348.110898 171.6
[M+H-H2O]+ 292.145000 161.5
[M+HCOO]- 354.145941 192.0
[M+CH3COO]- 368.161591 217.2
[M+Na-2H]- 330.122406 175.1
[M]+ 309.14719142 168.8
[M]- 309.14828858 168.8
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

patents stripe