CID 23032

N,n'-(9,10-dihydro-9,10-dioxo-1,4-anthracenediyl)bisacetamide

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 169.9
[M+Na]+ 345.08459 178.0
[M-H]- 321.08809 175.7
[M+NH4]+ 340.12919 185.8
[M+K]+ 361.05853 174.4
[M+H-H2O]+ 305.09263 162.5
[M+HCOO]- 367.09357 191.0
[M+CH3COO]- 381.10922 216.1
[M+Na-2H]- 343.07004 174.2
[M]+ 322.09482 171.2
[M]- 322.09592 171.2
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