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 170.3
[M+Na]+ 303.12164 182.7
[M+NH4]+ 298.16624 174.2
[M+K]+ 319.09558 174.3
[M-H]- 279.12514 167.2
[M+Na-2H]- 301.10709 172.6
[M]+ 280.13187 170.3
[M]- 280.13297 170.3
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.