CID 91278

25111-96-0

Structural Information

Molecular Formula

C₁₉H₁₉N₃O

SMILES

CC1=NN(C(=O)C1=CC2=CC=C(C=C2)N(C)C)C3=CC=CC=C3

InChI

InChI=1S/C19H19N3O/c1-14-18(13-15-9-11-16(12-10-15)21(2)3)19(23)22(20-14)17-7-5-4-6-8-17/h4-13H,1-3H3

InChIKey

YJCRUYAVDCDVCD-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 1
Patents: 305.1528 Da
Monoisotopic Mass: 3.5
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]+	306.160076	173.3
[M+Na]+	328.142018	181.5
[M-H]-	304.145524	182.3
[M+NH4]+	323.186623	187.6
[M+K]+	344.115958	176.3
[M+H-H2O]+	288.150060	163.1
[M+HCOO]-	350.151001	196.1
[M+CH3COO]-	364.166651	211.0
[M+Na-2H]-	326.127466	174.2
[M]+	305.15225142	173.9
[M]-	305.15334858	173.9

Literature stripe

literature stripe

Patent stripe

patents stripe