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]+ 355.176476 190.2
[M+Na]+ 377.158418 200.2
[M-H]- 353.161924 191.8
[M+NH4]+ 372.203023 199.2
[M+K]+ 393.132358 194.6
[M+H-H2O]+ 337.166460 175.6
[M+HCOO]- 399.167401 201.3
[M+CH3COO]- 413.183051 223.5
[M+Na-2H]- 375.143866 190.2
[M]+ 354.16865142 185.6
[M]- 354.16974858 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.