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 174.3
[M+Na]+ 318.13252 184.6
[M-H]- 294.13602 175.2
[M+NH4]+ 313.17712 184.4
[M+K]+ 334.10646 178.6
[M+H-H2O]+ 278.14056 158.5
[M+HCOO]- 340.14150 186.1
[M+CH3COO]- 354.15715 182.5
[M+Na-2H]- 316.11797 177.0
[M]+ 295.14275 167.5
[M]- 295.14385 167.5
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.