CID 3155428

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

Structural Information

Molecular Formula
C19H22N4O2
SMILES
CCOC1=CC=C(C=C1)C2C(=C(OC3=NNC(=C23)C(C)(C)C)N)C#N
InChI
InChI=1S/C19H22N4O2/c1-5-24-12-8-6-11(7-9-12)14-13(10-20)17(21)25-18-15(14)16(22-23-18)19(2,3)4/h6-9,14H,5,21H2,1-4H3,(H,22,23)
InChIKey
YOXXEKRBNKIIFV-UHFFFAOYSA-N
Compound name
6-amino-3-tert-butyl-4-(4-ethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.1743 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.18158 184.2
[M+Na]+ 361.16352 195.5
[M+NH4]+ 356.20812 186.9
[M+K]+ 377.13746 188.4
[M-H]- 337.16702 180.1
[M+Na-2H]- 359.14897 185.2
[M]+ 338.17375 183.8
[M]- 338.17485 183.8
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.