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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	339.181576	186.4
[M+Na]+	361.163518	196.3
[M-H]-	337.167024	188.7
[M+NH4]+	356.208123	196.5
[M+K]+	377.137458	190.4
[M+H-H2O]+	321.171560	171.3
[M+HCOO]-	383.172501	198.7
[M+CH3COO]-	397.188151	222.2
[M+Na-2H]-	359.148966	187.3
[M]+	338.17375142	181.8
[M]-	338.17484858	181.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.