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
1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrazol-5-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]+ 248.139356 155.9
[M+Na]+ 270.121298 165.6
[M-H]- 246.124804 160.6
[M+NH4]+ 265.165903 172.5
[M+K]+ 286.095238 162.5
[M+H-H2O]+ 230.129340 147.6
[M+HCOO]- 292.130281 179.7
[M+CH3COO]- 306.145931 197.3
[M+Na-2H]- 268.106746 158.6
[M]+ 247.13153142 159.2
[M]- 247.13262858 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.