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

21
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 180.8
[M+Na]+ 360.16824 192.8
[M+NH4]+ 355.21284 188.7
[M+K]+ 376.14218 184.7
[M-H]- 336.17174 185.8
[M+Na-2H]- 358.15369 185.8
[M]+ 337.17847 183.8
[M]- 337.17957 183.8
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