CID 4962253

3524-27-4

Structural Information

Molecular Formula

C₁₂H₁₆N₄

SMILES

CN(C)C1=CC=C(C=C1)CN2C(=CC=N2)N

InChI

InChI=1S/C12H16N4/c1-15(2)11-5-3-10(4-6-11)9-16-12(13)7-8-14-16/h3-8H,9,13H2,1-2H3

InChIKey

NURZXYPEYWICFY-UHFFFAOYSA-N

Compound name

2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 216.1375 Da
Monoisotopic Mass: 1.6
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]+	217.14478	148.7
[M+Na]+	239.12672	156.4
[M-H]-	215.13022	154.2
[M+NH4]+	234.17132	166.3
[M+K]+	255.10066	153.8
[M+H-H2O]+	199.13476	139.7
[M+HCOO]-	261.13570	173.9
[M+CH3COO]-	275.15135	196.1
[M+Na-2H]-	237.11217	153.1
[M]+	216.13695	148.6
[M]-	216.13805	148.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe