CID 3128137

85459-97-8

Structural Information

Molecular Formula
C12H10N4O2
SMILES
CC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC=CO3
InChI
InChI=1S/C12H10N4O2/c1-6-9-10(8-3-2-4-17-8)7(5-13)11(14)18-12(9)16-15-6/h2-4,10H,14H2,1H3,(H,15,16)
InChIKey
UHARQVNAUNOBNF-UHFFFAOYSA-N
Compound name
6-amino-4-(furan-2-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

1
Patents

242.08037 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.08765 152.5
[M+Na]+ 265.06959 165.2
[M-H]- 241.07309 156.1
[M+NH4]+ 260.11419 166.4
[M+K]+ 281.04353 160.8
[M+H-H2O]+ 225.07763 138.3
[M+HCOO]- 287.07857 169.7
[M+CH3COO]- 301.09422 163.7
[M+Na-2H]- 263.05504 155.8
[M]+ 242.07982 148.8
[M]- 242.08092 148.8
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.