CID 2879464

5978-67-6

Structural Information

Molecular Formula
C13H12N4O2
SMILES
CC1=CC=C(O1)C2C(=C(OC3=NNC(=C23)C)N)C#N
InChI
InChI=1S/C13H12N4O2/c1-6-3-4-9(18-6)11-8(5-14)12(15)19-13-10(11)7(2)16-17-13/h3-4,11H,15H2,1-2H3,(H,16,17)
InChIKey
LPBLQFLPCJJWIK-UHFFFAOYSA-N
Compound name
6-amino-3-methyl-4-(5-methylfuran-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

256.09604 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.103316 157.5
[M+Na]+ 279.085258 170.5
[M-H]- 255.088764 161.2
[M+NH4]+ 274.129863 171.1
[M+K]+ 295.059198 166.0
[M+H-H2O]+ 239.093300 143.4
[M+HCOO]- 301.094241 174.3
[M+CH3COO]- 315.109891 168.5
[M+Na-2H]- 277.070706 159.5
[M]+ 256.09549142 154.4
[M]- 256.09658858 154.4
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

No patent data available for this compound.