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 193.5
[M+Na]+ 395.14785 204.3
[M-H]- 371.15135 198.1
[M+NH4]+ 390.19245 201.8
[M+K]+ 411.12179 195.7
[M+H-H2O]+ 355.15589 176.8
[M+HCOO]- 417.15683 207.4
[M+CH3COO]- 431.17248 201.1
[M+Na-2H]- 393.13330 193.2
[M]+ 372.15808 188.3
[M]- 372.15918 188.3
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.