CID 3154154

956353-25-6

Structural Information

Molecular Formula

C₁₂H₁₅N₃O₂

SMILES

COC1=C(C=C(C=C1)CN2C(=CC=N2)N)OC

InChI

InChI=1S/C12H15N3O2/c1-16-10-4-3-9(7-11(10)17-2)8-15-12(13)5-6-14-15/h3-7H,8,13H2,1-2H3

InChIKey

DZRCUBRTSCVVQJ-UHFFFAOYSA-N

Compound name

2-[(3,4-dimethoxyphenyl)methyl]pyrazol-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 233.11642 Da
Monoisotopic Mass: 1.4
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]+	234.12370	152.2
[M+Na]+	256.10564	164.6
[M+NH4]+	251.15024	159.4
[M+K]+	272.07958	160.6
[M-H]-	232.10914	154.9
[M+Na-2H]-	254.09109	159.2
[M]+	233.11587	154.6
[M]-	233.11697	154.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe