CID 5485377

68213-93-4

Structural Information

Molecular Formula
C18H12N4O8
SMILES
CC(=O)NC1=C2C(=C(C=C1)[N+](=O)[O-])C(=O)C3=C(C=CC(=C3C2=O)NC(=O)C)[N+](=O)[O-]
InChI
InChI=1S/C18H12N4O8/c1-7(23)19-9-3-5-11(21(27)28)15-13(9)17(25)14-10(20-8(2)24)4-6-12(22(29)30)16(14)18(15)26/h3-6H,1-2H3,(H,19,23)(H,20,24)
InChIKey
QZNQEOQENXBFPL-UHFFFAOYSA-N
Compound name
N-(8-acetamido-4,5-dinitro-9,10-dioxoanthracen-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.06552 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.07280 187.0
[M+Na]+ 435.05474 193.7
[M+NH4]+ 430.09934 196.2
[M+K]+ 451.02868 202.8
[M-H]- 411.05824 184.5
[M+Na-2H]- 433.04019 184.8
[M]+ 412.06497 189.7
[M]- 412.06607 189.7
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

No patent data available for this compound.