CID 23377749

1355602-25-3

Structural Information

Molecular Formula

C₁₂H₁₅N₃O

SMILES

CC1=NN(C(=C1)N)CC2=CC=C(C=C2)OC

InChI

InChI=1S/C12H15N3O/c1-9-7-12(13)15(14-9)8-10-3-5-11(16-2)6-4-10/h3-7H,8,13H2,1-2H3

InChIKey

NSEQDDGTNOMRHQ-UHFFFAOYSA-N

Compound name

2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 47
Patents: 217.1215 Da
Monoisotopic Mass: 1.9
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]+	218.12878	149.0
[M+Na]+	240.11072	161.9
[M+NH4]+	235.15532	156.7
[M+K]+	256.08466	157.2
[M-H]-	216.11422	152.2
[M+Na-2H]-	238.09617	156.4
[M]+	217.12095	151.6
[M]-	217.12205	151.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe