CID 3155428

378211-70-2

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 186.4
[M+Na]+ 361.16352 196.3
[M-H]- 337.16702 188.7
[M+NH4]+ 356.20812 196.5
[M+K]+ 377.13746 190.4
[M+H-H2O]+ 321.17156 171.3
[M+HCOO]- 383.17250 198.7
[M+CH3COO]- 397.18815 222.2
[M+Na-2H]- 359.14897 187.3
[M]+ 338.17375 181.8
[M]- 338.17485 181.8
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.