CID 608925

6-amino-4-phenyl-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

Structural Information

Molecular Formula
C16H16N4O
SMILES
CCCC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC=CC=C3
InChI
InChI=1S/C16H16N4O/c1-2-6-12-14-13(10-7-4-3-5-8-10)11(9-17)15(18)21-16(14)20-19-12/h3-5,7-8,13H,2,6,18H2,1H3,(H,19,20)
InChIKey
GORPQIWGUYANRU-UHFFFAOYSA-N
Compound name
6-amino-4-phenyl-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

280.13242 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.13970 166.9
[M+Na]+ 303.12164 177.4
[M-H]- 279.12514 169.0
[M+NH4]+ 298.16624 178.8
[M+K]+ 319.09558 170.5
[M+H-H2O]+ 263.12968 151.5
[M+HCOO]- 325.13062 181.6
[M+CH3COO]- 339.14627 175.9
[M+Na-2H]- 301.10709 169.2
[M]+ 280.13187 160.4
[M]- 280.13297 160.4
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.