CID 3120982

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

Structural Information

Molecular Formula
C20H14BrClN4O
SMILES
CC1=NN(C2=C1C(C(=C(O2)N)C#N)C3=CC=C(C=C3)Br)C4=CC(=CC=C4)Cl
InChI
InChI=1S/C20H14BrClN4O/c1-11-17-18(12-5-7-13(21)8-6-12)16(10-23)19(24)27-20(17)26(25-11)15-4-2-3-14(22)9-15/h2-9,18H,24H2,1H3
InChIKey
XRYWLNIMFFJWLK-UHFFFAOYSA-N
Compound name
6-amino-4-(4-bromophenyl)-1-(3-chlorophenyl)-3-methyl-4H-pyrano[2,3-c]pyrazole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.00394 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.01122 199.2
[M+Na]+ 462.99316 206.3
[M+NH4]+ 458.03776 201.0
[M+K]+ 478.96710 201.5
[M-H]- 438.99666 198.0
[M+Na-2H]- 460.97861 200.4
[M]+ 440.00339 198.6
[M]- 440.00449 198.6
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.