CID 458830

106580-21-6

Structural Information

Molecular Formula
C18H18N2O2
SMILES
CN(C)C1=CC2=C(C=C1)C(=O)C3=C(C2=O)C=CC(=C3)N(C)C
InChI
InChI=1S/C18H18N2O2/c1-19(2)11-5-7-13-15(9-11)17(21)14-8-6-12(20(3)4)10-16(14)18(13)22/h5-10H,1-4H3
InChIKey
ZGFNWJKSRCEHAA-UHFFFAOYSA-N
Compound name
2,6-bis(dimethylamino)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

294.13684 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.14412 166.2
[M+Na]+ 317.12606 174.8
[M-H]- 293.12956 174.7
[M+NH4]+ 312.17066 184.9
[M+K]+ 333.10000 172.5
[M+H-H2O]+ 277.13410 158.3
[M+HCOO]- 339.13504 189.5
[M+CH3COO]- 353.15069 219.0
[M+Na-2H]- 315.11151 170.9
[M]+ 294.13629 169.7
[M]- 294.13739 169.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe