CID 2861379

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

Structural Information

Molecular Formula
C17H16ClFN4O
SMILES
CC(C)(C)C1=C2C(C(=C(OC2=NN1)N)C#N)C3=C(C=CC=C3Cl)F
InChI
InChI=1S/C17H16ClFN4O/c1-17(2,3)14-13-11(12-9(18)5-4-6-10(12)19)8(7-20)15(21)24-16(13)23-22-14/h4-6,11H,21H2,1-3H3,(H,22,23)
InChIKey
AHAMHZSLSGMKNN-UHFFFAOYSA-N
Compound name
6-amino-3-tert-butyl-4-(2-chloro-6-fluorophenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

346.09967 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.10695 181.5
[M+Na]+ 369.08889 193.8
[M+NH4]+ 364.13349 184.5
[M+K]+ 385.06283 185.9
[M-H]- 345.09239 176.3
[M+Na-2H]- 367.07434 182.4
[M]+ 346.09912 181.2
[M]- 346.10022 181.2
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.