CID 199981

5372-15-6

Structural Information

Molecular Formula
C15H21N3O
SMILES
CC1=NN(C(=C1)OCCN(C)C)CC2=CC=CC=C2
InChI
InChI=1S/C15H21N3O/c1-13-11-15(19-10-9-17(2)3)18(16-13)12-14-7-5-4-6-8-14/h4-8,11H,9-10,12H2,1-3H3
InChIKey
ROWFYAJOERBGDW-UHFFFAOYSA-N
Compound name
2-(2-benzyl-5-methylpyrazol-3-yl)oxy-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.16846 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.17574 161.5
[M+Na]+ 282.15768 168.7
[M-H]- 258.16118 167.0
[M+NH4]+ 277.20228 177.9
[M+K]+ 298.13162 166.2
[M+H-H2O]+ 242.16572 152.1
[M+HCOO]- 304.16666 185.5
[M+CH3COO]- 318.18231 202.8
[M+Na-2H]- 280.14313 164.8
[M]+ 259.16791 165.5
[M]- 259.16901 165.5
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.