CID 3103608

23677-62-5

Structural Information

Molecular Formula
C14H9N3O4
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3N)[N+](=O)[O-])N
InChI
InChI=1S/C14H9N3O4/c15-8-5-9(17(20)21)12(16)11-10(8)13(18)6-3-1-2-4-7(6)14(11)19/h1-5H,15-16H2
InChIKey
RPAUNJMPBLFVQL-UHFFFAOYSA-N
Compound name
1,4-diamino-2-nitroanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

14
Patents

283.0593 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.06658 156.1
[M+Na]+ 306.04852 164.9
[M-H]- 282.05202 161.4
[M+NH4]+ 301.09312 172.3
[M+K]+ 322.02246 156.7
[M+H-H2O]+ 266.05656 153.6
[M+HCOO]- 328.05750 179.3
[M+CH3COO]- 342.07315 201.7
[M+Na-2H]- 304.03397 163.5
[M]+ 283.05875 153.2
[M]- 283.05985 153.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe