CID 2861737

6-amino-3-tert-butyl-4-(2-methoxyphenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

Structural Information

Molecular Formula
C18H20N4O2
SMILES
CC(C)(C)C1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC=CC=C3OC
InChI
InChI=1S/C18H20N4O2/c1-18(2,3)15-14-13(10-7-5-6-8-12(10)23-4)11(9-19)16(20)24-17(14)22-21-15/h5-8,13H,20H2,1-4H3,(H,21,22)
InChIKey
PKDGUQTVEJBFLT-UHFFFAOYSA-N
Compound name
6-amino-3-tert-butyl-4-(2-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

324.15863 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.16591 180.2
[M+Na]+ 347.14785 191.6
[M+NH4]+ 342.19245 183.0
[M+K]+ 363.12179 184.8
[M-H]- 323.15135 176.1
[M+Na-2H]- 345.13330 181.4
[M]+ 324.15808 179.8
[M]- 324.15918 179.8
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.