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

24
Patents

337.17902 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.18630 178.9
[M+Na]+ 360.16824 185.5
[M-H]- 336.17174 185.3
[M+NH4]+ 355.21284 194.7
[M+K]+ 376.14218 181.5
[M+H-H2O]+ 320.17628 170.3
[M+HCOO]- 382.17722 201.9
[M+CH3COO]- 396.19287 226.9
[M+Na-2H]- 358.15369 183.7
[M]+ 337.17847 181.1
[M]- 337.17957 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