CID 2860306

304880-81-7

Structural Information

Molecular Formula
C17H17FN4O
SMILES
CC(C)(C)C1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC=C(C=C3)F
InChI
InChI=1S/C17H17FN4O/c1-17(2,3)14-13-12(9-4-6-10(18)7-5-9)11(8-19)15(20)23-16(13)22-21-14/h4-7,12H,20H2,1-3H3,(H,21,22)
InChIKey
VGYZXMOGHPQOHS-UHFFFAOYSA-N
Compound name
6-amino-3-tert-butyl-4-(4-fluorophenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

312.13864 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.14592 177.4
[M+Na]+ 335.12786 188.4
[M-H]- 311.13136 178.8
[M+NH4]+ 330.17246 188.5
[M+K]+ 351.10180 181.9
[M+H-H2O]+ 295.13590 161.9
[M+HCOO]- 357.13684 189.3
[M+CH3COO]- 371.15249 185.8
[M+Na-2H]- 333.11331 178.6
[M]+ 312.13809 170.0
[M]- 312.13919 170.0
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.