CID 3155430

6-amino-3-tert-butyl-4-(3-ethoxy-4-hydroxyphenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

Structural Information

Molecular Formula
C19H22N4O3
SMILES
CCOC1=C(C=CC(=C1)C2C(=C(OC3=NNC(=C23)C(C)(C)C)N)C#N)O
InChI
InChI=1S/C19H22N4O3/c1-5-25-13-8-10(6-7-12(13)24)14-11(9-20)17(21)26-18-15(14)16(22-23-18)19(2,3)4/h6-8,14,24H,5,21H2,1-4H3,(H,22,23)
InChIKey
XNFXQGKFJRRXIK-UHFFFAOYSA-N
Compound name
6-amino-3-tert-butyl-4-(3-ethoxy-4-hydroxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.1692 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.17648 186.7
[M+Na]+ 377.15842 197.3
[M+NH4]+ 372.20302 188.6
[M+K]+ 393.13236 191.3
[M-H]- 353.16192 181.8
[M+Na-2H]- 375.14387 186.6
[M]+ 354.16865 185.9
[M]- 354.16975 185.9
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.