CID 3120968

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

Structural Information

Molecular Formula
C20H13BrCl2N4O
SMILES
CC1=NN(C2=C1C(C(=C(O2)N)C#N)C3=C(C=C(C=C3)Cl)Cl)C4=CC=C(C=C4)Br
InChI
InChI=1S/C20H13BrCl2N4O/c1-10-17-18(14-7-4-12(22)8-16(14)23)15(9-24)19(25)28-20(17)27(26-10)13-5-2-11(21)3-6-13/h2-8,18H,25H2,1H3
InChIKey
APDFHICNEGDZPU-UHFFFAOYSA-N
Compound name
6-amino-1-(4-bromophenyl)-4-(2,4-dichlorophenyl)-3-methyl-4H-pyrano[2,3-c]pyrazole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

473.96497 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 474.97225 203.7
[M+Na]+ 496.95419 211.6
[M+NH4]+ 491.99879 205.6
[M+K]+ 512.92813 206.2
[M-H]- 472.95769 202.5
[M+Na-2H]- 494.93964 204.6
[M]+ 473.96442 203.5
[M]- 473.96552 203.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.