CID 3120975

6-amino-1-(4-bromophenyl)-4-(4-fluorophenyl)-3-methyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

Structural Information

Molecular Formula
C20H14BrFN4O
SMILES
CC1=NN(C2=C1C(C(=C(O2)N)C#N)C3=CC=C(C=C3)F)C4=CC=C(C=C4)Br
InChI
InChI=1S/C20H14BrFN4O/c1-11-17-18(12-2-6-14(22)7-3-12)16(10-23)19(24)27-20(17)26(25-11)15-8-4-13(21)5-9-15/h2-9,18H,24H2,1H3
InChIKey
NEXRJXZBWYFHEA-UHFFFAOYSA-N
Compound name
6-amino-1-(4-bromophenyl)-4-(4-fluorophenyl)-3-methyl-4H-pyrano[2,3-c]pyrazole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.0335 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.04078 199.6
[M+Na]+ 447.02272 205.5
[M+NH4]+ 442.06732 200.5
[M+K]+ 462.99666 201.0
[M-H]- 423.02622 196.8
[M+Na-2H]- 445.00817 199.8
[M]+ 424.03295 198.1
[M]- 424.03405 198.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.