CID 91362

25264-26-0

Structural Information

Molecular Formula
C20H23N3O2
SMILES
CNC1=C2C(=C(C=C1)NCCCN(C)C)C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C20H23N3O2/c1-21-15-9-10-16(22-11-6-12-23(2)3)18-17(15)19(24)13-7-4-5-8-14(13)20(18)25/h4-5,7-10,21-22H,6,11-12H2,1-3H3
InChIKey
WBXFUQWYLUPTDE-UHFFFAOYSA-N
Compound name
1-[3-(dimethylamino)propylamino]-4-(methylamino)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

337.17902 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.186296 178.9
[M+Na]+ 360.168238 185.5
[M-H]- 336.171744 185.3
[M+NH4]+ 355.212843 194.7
[M+K]+ 376.142178 181.5
[M+H-H2O]+ 320.176280 170.3
[M+HCOO]- 382.177221 201.9
[M+CH3COO]- 396.192871 226.9
[M+Na-2H]- 358.153686 183.7
[M]+ 337.17847142 181.1
[M]- 337.17956858 181.1
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