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]+ 257.10332 159.2
[M+Na]+ 279.08526 171.5
[M+NH4]+ 274.12986 162.8
[M+K]+ 295.05920 166.8
[M-H]- 255.08876 156.3
[M+Na-2H]- 277.07071 160.5
[M]+ 256.09549 159.3
[M]- 256.09659 159.3
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.