CID 3154922

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

Structural Information

Molecular Formula
C24H24N4O3
SMILES
CCOC1=C(C=C(C=C1)C2C(=C(OC3=C2C(=NN3C4=CC=CC=C4)C)N)C#N)OCC
InChI
InChI=1S/C24H24N4O3/c1-4-29-19-12-11-16(13-20(19)30-5-2)22-18(14-25)23(26)31-24-21(22)15(3)27-28(24)17-9-7-6-8-10-17/h6-13,22H,4-5,26H2,1-3H3
InChIKey
QCNCFVUNZAHSGR-UHFFFAOYSA-N
Compound name
6-amino-4-(3,4-diethoxyphenyl)-3-methyl-1-phenyl-4H-pyrano[2,3-c]pyrazole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.18484 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.19212 203.2
[M+Na]+ 439.17406 214.0
[M-H]- 415.17756 208.9
[M+NH4]+ 434.21866 210.5
[M+K]+ 455.14800 206.5
[M+H-H2O]+ 399.18210 185.8
[M+HCOO]- 461.18304 217.8
[M+CH3COO]- 475.19869 210.6
[M+Na-2H]- 437.15951 201.9
[M]+ 416.18429 201.7
[M]- 416.18539 201.7
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.