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 190.2
[M+Na]+ 377.15842 200.2
[M-H]- 353.16192 191.8
[M+NH4]+ 372.20302 199.2
[M+K]+ 393.13236 194.6
[M+H-H2O]+ 337.16646 175.6
[M+HCOO]- 399.16740 201.3
[M+CH3COO]- 413.18305 223.5
[M+Na-2H]- 375.14387 190.2
[M]+ 354.16865 185.6
[M]- 354.16975 185.6
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.