CID 47002409

1000895-53-3

Structural Information

Molecular Formula
C13H17N3O2
SMILES
COC1=CC(=CC(=C1)CCC2=CC(=NN2)N)OC
InChI
InChI=1S/C13H17N3O2/c1-17-11-5-9(6-12(8-11)18-2)3-4-10-7-13(14)16-15-10/h5-8H,3-4H2,1-2H3,(H3,14,15,16)
InChIKey
QKEFSZDRDPDTTE-UHFFFAOYSA-N
Compound name
5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

247.13208 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.139356 156.0
[M+Na]+ 270.121298 164.2
[M-H]- 246.124804 158.9
[M+NH4]+ 265.165903 171.5
[M+K]+ 286.095238 160.3
[M+H-H2O]+ 230.129340 147.6
[M+HCOO]- 292.130281 178.2
[M+CH3COO]- 306.145931 193.6
[M+Na-2H]- 268.106746 158.9
[M]+ 247.13153142 157.0
[M]- 247.13262858 157.0
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

patents stripe