CID 29060900

1-[(3,4-dimethoxyphenyl)methyl]-4-methyl-1h-pyrazol-5-amine

Structural Information

Molecular Formula
C13H17N3O2
SMILES
CC1=C(N(N=C1)CC2=CC(=C(C=C2)OC)OC)N
InChI
InChI=1S/C13H17N3O2/c1-9-7-15-16(13(9)14)8-10-4-5-11(17-2)12(6-10)18-3/h4-7H,8,14H2,1-3H3
InChIKey
DUJSJYBDDFYHFN-UHFFFAOYSA-N
Compound name
2-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.13208 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.13936 155.9
[M+Na]+ 270.12130 165.6
[M-H]- 246.12480 160.6
[M+NH4]+ 265.16590 172.5
[M+K]+ 286.09524 162.5
[M+H-H2O]+ 230.12934 147.6
[M+HCOO]- 292.13028 179.7
[M+CH3COO]- 306.14593 197.3
[M+Na-2H]- 268.10675 158.6
[M]+ 247.13153 159.2
[M]- 247.13263 159.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.