CID 92538

56799-32-7

Structural Information

Molecular Formula
C18H18N2O2
SMILES
CN(C)C1=C2C(=C(C=C1)N(C)C)C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C18H18N2O2/c1-19(2)13-9-10-14(20(3)4)16-15(13)17(21)11-7-5-6-8-12(11)18(16)22/h5-10H,1-4H3
InChIKey
OZMLRWPLFYWTPG-UHFFFAOYSA-N
Compound name
1,4-bis(dimethylamino)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

128
Patents

294.13684 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.144116 166.2
[M+Na]+ 317.126058 174.8
[M-H]- 293.129564 174.7
[M+NH4]+ 312.170663 184.9
[M+K]+ 333.099998 172.5
[M+H-H2O]+ 277.134100 158.3
[M+HCOO]- 339.135041 189.5
[M+CH3COO]- 353.150691 219.0
[M+Na-2H]- 315.111506 170.9
[M]+ 294.13629142 169.7
[M]- 294.13738858 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