CID 361814

Nsc625131

Structural Information

Molecular Formula
C12H6N4O2
SMILES
C1=C2C(=CC3=C1OC(=C3C#N)N)OC(=C2C#N)N
InChI
InChI=1S/C12H6N4O2/c13-3-7-5-1-9-6(2-10(5)18-11(7)15)8(4-14)12(16)17-9/h1-2H,15-16H2
InChIKey
MEIAFCFJXTVGOG-UHFFFAOYSA-N
Compound name
2,6-diaminofuro[2,3-f][1]benzofuran-3,7-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

238.04907 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.05635 168.8
[M+Na]+ 261.03829 182.9
[M-H]- 237.04179 173.0
[M+NH4]+ 256.08289 181.6
[M+K]+ 277.01223 176.7
[M+H-H2O]+ 221.04633 153.5
[M+HCOO]- 283.04727 182.7
[M+CH3COO]- 297.06292 176.9
[M+Na-2H]- 259.02374 170.3
[M]+ 238.04852 163.6
[M]- 238.04962 163.6
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