CID 3154922

6-amino-4-(3,4-diethoxyphenyl)-3-methyl-1-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

Structural Information

Molecular Formula

C₂₄H₂₄N₄O₃

SMILES

CCOC1=C(C=C(C=C1)C2C(=C(OC3=C2C(=NN3C4=CC=CC=C4)C)N)C#N)OCC

InChI

InChI=1S/C24H24N4O3/c1-4-29-19-12-11-16(13-20(19)30-5-2)22-18(14-25)23(26)31-24-21(22)15(3)27-28(24)17-9-7-6-8-10-17/h6-13,22H,4-5,26H2,1-3H3

InChIKey

QCNCFVUNZAHSGR-UHFFFAOYSA-N

Compound name

6-amino-4-(3,4-diethoxyphenyl)-3-methyl-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 416.18484 Da
Monoisotopic Mass: 4.7
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]+	417.192116	203.2
[M+Na]+	439.174058	214.0
[M-H]-	415.177564	208.9
[M+NH4]+	434.218663	210.5
[M+K]+	455.147998	206.5
[M+H-H2O]+	399.182100	185.8
[M+HCOO]-	461.183041	217.8
[M+CH3COO]-	475.198691	210.6
[M+Na-2H]-	437.159506	201.9
[M]+	416.18429142	201.7
[M]-	416.18538858	201.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.