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 220.8
[M-H]- 472.95769 210.2
[M+NH4]+ 491.99879 214.4
[M+K]+ 512.92813 203.8
[M+H-H2O]+ 456.96223 194.3
[M+HCOO]- 518.96317 211.0
[M+CH3COO]- 532.97882 213.1
[M+Na-2H]- 494.93964 202.9
[M]+ 473.96442 218.6
[M]- 473.96552 218.6
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.