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

67
Patents

247.13208 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.13936 156.0
[M+Na]+ 270.12130 164.2
[M-H]- 246.12480 158.9
[M+NH4]+ 265.16590 171.5
[M+K]+ 286.09524 160.3
[M+H-H2O]+ 230.12934 147.6
[M+HCOO]- 292.13028 178.2
[M+CH3COO]- 306.14593 193.6
[M+Na-2H]- 268.10675 158.9
[M]+ 247.13153 157.0
[M]- 247.13263 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