CID 54550339

Dtxsid801343118

Structural Information

Molecular Formula

C₂₂H₂₆N₄O

SMILES

CCN(CC)C1=CC=C(C=C1)C=C2C(=NN(C2=O)C3=CC=CC=C3)N(C)C

InChI

InChI=1S/C22H26N4O/c1-5-25(6-2)18-14-12-17(13-15-18)16-20-21(24(3)4)23-26(22(20)27)19-10-8-7-9-11-19/h7-16H,5-6H2,1-4H3

InChIKey

ZJLDYEFDEXBQBX-UHFFFAOYSA-N

Compound name

4-[[4-(diethylamino)phenyl]methylidene]-5-(dimethylamino)-2-phenylpyrazol-3-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 113
Patents: 362.21066 Da
Monoisotopic Mass: 3.9
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]+	363.217936	190.8
[M+Na]+	385.199878	196.8
[M-H]-	361.203384	200.7
[M+NH4]+	380.244483	203.1
[M+K]+	401.173818	192.5
[M+H-H2O]+	345.207920	179.6
[M+HCOO]-	407.208861	214.1
[M+CH3COO]-	421.224511	227.5
[M+Na-2H]-	383.185326	190.1
[M]+	362.21011142	192.9
[M]-	362.21120858	192.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe