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 157.5
[M+Na]+ 279.08526 170.5
[M-H]- 255.08876 161.2
[M+NH4]+ 274.12986 171.1
[M+K]+ 295.05920 166.0
[M+H-H2O]+ 239.09330 143.4
[M+HCOO]- 301.09424 174.3
[M+CH3COO]- 315.10989 168.5
[M+Na-2H]- 277.07071 159.5
[M]+ 256.09549 154.4
[M]- 256.09659 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.