CID 66477

81-41-4

Structural Information

Molecular Formula
C16H8N4O2
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C(=C(C(=C3C2=O)N)C#N)C#N)N
InChI
InChI=1S/C16H8N4O2/c17-5-9-10(6-18)14(20)12-11(13(9)19)15(21)7-3-1-2-4-8(7)16(12)22/h1-4H,19-20H2
InChIKey
QUZJFTXRXJQLBH-UHFFFAOYSA-N
Compound name
1,4-diamino-9,10-dioxoanthracene-2,3-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

260
Patents

288.06473 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.07201 183.1
[M+Na]+ 311.05395 195.6
[M-H]- 287.05745 186.8
[M+NH4]+ 306.09855 194.3
[M+K]+ 327.02789 187.4
[M+H-H2O]+ 271.06199 168.4
[M+HCOO]- 333.06293 194.1
[M+CH3COO]- 347.07858 189.3
[M+Na-2H]- 309.03940 182.7
[M]+ 288.06418 173.9
[M]- 288.06528 173.9
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