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]+ 281.139696 166.9
[M+Na]+ 303.121638 177.4
[M-H]- 279.125144 169.0
[M+NH4]+ 298.166243 178.8
[M+K]+ 319.095578 170.5
[M+H-H2O]+ 263.129680 151.5
[M+HCOO]- 325.130621 181.6
[M+CH3COO]- 339.146271 175.9
[M+Na-2H]- 301.107086 169.2
[M]+ 280.13187142 160.4
[M]- 280.13296858 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.