CID 3123527

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

Structural Information

Molecular Formula
C19H12Cl2N4O
SMILES
C1=CC=C(C=C1)C2=C3C(C(=C(OC3=NN2)N)C#N)C4=C(C=C(C=C4)Cl)Cl
InChI
InChI=1S/C19H12Cl2N4O/c20-11-6-7-12(14(21)8-11)15-13(9-22)18(23)26-19-16(15)17(24-25-19)10-4-2-1-3-5-10/h1-8,15H,23H2,(H,24,25)
InChIKey
ANONOGRPBHEFPR-UHFFFAOYSA-N
Compound name
6-amino-4-(2,4-dichlorophenyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.03882 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.04610 193.5
[M+Na]+ 405.02804 207.0
[M-H]- 381.03154 197.4
[M+NH4]+ 400.07264 202.8
[M+K]+ 421.00198 196.0
[M+H-H2O]+ 365.03608 178.1
[M+HCOO]- 427.03702 199.3
[M+CH3COO]- 441.05267 201.1
[M+Na-2H]- 403.01349 193.0
[M]+ 382.03827 189.7
[M]- 382.03937 189.7
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.