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 184.4
[M+Na]+ 435.05474 188.3
[M-H]- 411.05824 189.3
[M+NH4]+ 430.09934 193.3
[M+K]+ 451.02868 178.4
[M+H-H2O]+ 395.06278 184.7
[M+HCOO]- 457.06372 205.4
[M+CH3COO]- 471.07937 220.0
[M+Na-2H]- 433.04019 191.8
[M]+ 412.06497 182.7
[M]- 412.06607 182.7
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.