CID 67208

129-30-6

Structural Information

Molecular Formula
C18H14N2O4
SMILES
CC(=O)NC1=CC=CC2=C1C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)C
InChI
InChI=1S/C18H14N2O4/c1-9(21)19-13-7-3-5-11-15(13)17(23)12-6-4-8-14(20-10(2)22)16(12)18(11)24/h3-8H,1-2H3,(H,19,21)(H,20,22)
InChIKey
FKRYJILJIVPKTR-UHFFFAOYSA-N
Compound name
N-(5-acetamido-9,10-dioxoanthracen-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

322.09537 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.102646 169.9
[M+Na]+ 345.084588 178.0
[M-H]- 321.088094 175.7
[M+NH4]+ 340.129193 185.8
[M+K]+ 361.058528 174.4
[M+H-H2O]+ 305.092630 162.5
[M+HCOO]- 367.093571 191.0
[M+CH3COO]- 381.109221 216.1
[M+Na-2H]- 343.070036 174.2
[M]+ 322.09482142 171.2
[M]- 322.09591858 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