CID 9571538

Nsc681776

Structural Information

Molecular Formula
C15H9N5O2
SMILES
C1=COC(=C1)/C=N/N2C(=C(C(=C2N)C#N)C#N)C3=CC=CO3
InChI
InChI=1S/C15H9N5O2/c16-7-11-12(8-17)15(18)20(14(11)13-4-2-6-22-13)19-9-10-3-1-5-21-10/h1-6,9H,18H2/b19-9+
InChIKey
XNIVBTJMWLISEX-DJKKODMXSA-N
Compound name
2-amino-5-(furan-2-yl)-1-[(E)-furan-2-ylmethylideneamino]pyrrole-3,4-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.07562 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.08290 174.2
[M+Na]+ 314.06484 185.5
[M-H]- 290.06834 179.6
[M+NH4]+ 309.10944 184.0
[M+K]+ 330.03878 180.8
[M+H-H2O]+ 274.07288 155.9
[M+HCOO]- 336.07382 189.1
[M+CH3COO]- 350.08947 181.2
[M+Na-2H]- 312.05029 173.0
[M]+ 291.07507 168.5
[M]- 291.07617 168.5
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.