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]+ 243.087646 152.5
[M+Na]+ 265.069588 165.2
[M-H]- 241.073094 156.1
[M+NH4]+ 260.114193 166.4
[M+K]+ 281.043528 160.8
[M+H-H2O]+ 225.077630 138.3
[M+HCOO]- 287.078571 169.7
[M+CH3COO]- 301.094221 163.7
[M+Na-2H]- 263.055036 155.8
[M]+ 242.07982142 148.8
[M]- 242.08091858 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

literature stripe

Patent stripe

patents stripe