CID 612356

313379-44-1

Structural Information

Molecular Formula
C16H17N5O
SMILES
CC(C)(C)C1=C2C(C(=C(OC2=NN1)N)C#N)C3=CN=CC=C3
InChI
InChI=1S/C16H17N5O/c1-16(2,3)13-12-11(9-5-4-6-19-8-9)10(7-17)14(18)22-15(12)21-20-13/h4-6,8,11H,18H2,1-3H3,(H,20,21)
InChIKey
AHBJGTHUXDILJW-UHFFFAOYSA-N
Compound name
6-amino-3-tert-butyl-4-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

295.1433 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.15058 174.1
[M+Na]+ 318.13252 185.8
[M+NH4]+ 313.17712 177.0
[M+K]+ 334.10646 178.9
[M-H]- 294.13602 169.7
[M+Na-2H]- 316.11797 175.9
[M]+ 295.14275 173.6
[M]- 295.14385 173.6
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.