CID 23032

1,4-diacetamidoanthraquinone

Structural Information

Molecular Formula
C18H14N2O4
SMILES
CC(=O)NC1=C2C(=C(C=C1)NC(=O)C)C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C18H14N2O4/c1-9(21)19-13-7-8-14(20-10(2)22)16-15(13)17(23)11-5-3-4-6-12(11)18(16)24/h3-8H,1-2H3,(H,19,21)(H,20,22)
InChIKey
KPHHXNVVLVNAMV-UHFFFAOYSA-N
Compound name
N-(4-acetamido-9,10-dioxoanthracen-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

322.09537 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.10265 171.8
[M+Na]+ 345.08459 183.8
[M+NH4]+ 340.12919 178.4
[M+K]+ 361.05853 177.9
[M-H]- 321.08809 174.4
[M+Na-2H]- 343.07004 175.7
[M]+ 322.09482 173.9
[M]- 322.09592 173.9
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