CID 5215964

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

Structural Information

Molecular Formula
C22H20N4O2
SMILES
CCCC1=NN(C2=C1C(C(=C(O2)N)C#N)C3=CC=C(C=C3)O)C4=CC=CC=C4
InChI
InChI=1S/C22H20N4O2/c1-2-6-18-20-19(14-9-11-16(27)12-10-14)17(13-23)21(24)28-22(20)26(25-18)15-7-4-3-5-8-15/h3-5,7-12,19,27H,2,6,24H2,1H3
InChIKey
QSJIBXBGQSLKPG-UHFFFAOYSA-N
Compound name
6-amino-4-(4-hydroxyphenyl)-1-phenyl-3-propyl-4H-pyrano[2,3-c]pyrazole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.15863 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.16591 194.9
[M+Na]+ 395.14785 209.0
[M+NH4]+ 390.19245 198.4
[M+K]+ 411.12179 199.6
[M-H]- 371.15135 193.9
[M+Na-2H]- 393.13330 198.3
[M]+ 372.15808 195.9
[M]- 372.15918 195.9
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.