CID 600140

89607-35-2

Structural Information

Molecular Formula
C14H11FN4O
SMILES
CC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC=CC=C3F
InChI
InChI=1S/C14H11FN4O/c1-7-11-12(8-4-2-3-5-10(8)15)9(6-16)13(17)20-14(11)19-18-7/h2-5,12H,17H2,1H3,(H,18,19)
InChIKey
VCYNMKHKCLKODE-UHFFFAOYSA-N
Compound name
6-amino-4-(2-fluorophenyl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

270.09167 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.09895 160.7
[M+Na]+ 293.08089 172.7
[M-H]- 269.08439 162.2
[M+NH4]+ 288.12549 173.3
[M+K]+ 309.05483 166.0
[M+H-H2O]+ 253.08893 145.1
[M+HCOO]- 315.08987 175.1
[M+CH3COO]- 329.10552 170.4
[M+Na-2H]- 291.06634 162.9
[M]+ 270.09112 153.1
[M]- 270.09222 153.1
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.