CID 7131522

1052544-71-4

Structural Information

Molecular Formula

C₁₂H₁₅N₃O₂

SMILES

COC1=CC=CC(=C1OC)CN2C(=CC=N2)N

InChI

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

InChIKey

OJJQUTVDOFJYOD-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
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]+	234.123696	151.1
[M+Na]+	256.105638	160.3
[M-H]-	232.109144	155.5
[M+NH4]+	251.150243	167.9
[M+K]+	272.079578	157.4
[M+H-H2O]+	216.113680	142.7
[M+HCOO]-	278.114621	175.2
[M+CH3COO]-	292.130271	193.0
[M+Na-2H]-	254.091086	155.0
[M]+	233.11587142	153.6
[M]-	233.11696858	153.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe