CID 3154778

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

Structural Information

Molecular Formula
C23H22N4O3
SMILES
CCOC1=C(C=C(C=C1)C2C(=C(OC3=NNC(=C23)C4=CC=CC=C4)N)C#N)OCC
InChI
InChI=1S/C23H22N4O3/c1-3-28-17-11-10-15(12-18(17)29-4-2)19-16(13-24)22(25)30-23-20(19)21(26-27-23)14-8-6-5-7-9-14/h5-12,19H,3-4,25H2,1-2H3,(H,26,27)
InChIKey
VZPPWIYRRRSJLV-UHFFFAOYSA-N
Compound name
6-amino-4-(3,4-diethoxyphenyl)-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

402.1692 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.17648 201.8
[M+Na]+ 425.15842 215.1
[M+NH4]+ 420.20302 204.6
[M+K]+ 441.13236 206.1
[M-H]- 401.16192 200.3
[M+Na-2H]- 423.14387 204.5
[M]+ 402.16865 202.4
[M]- 402.16975 202.4
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.