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]+ 260.175736 161.5
[M+Na]+ 282.157678 168.7
[M-H]- 258.161184 167.0
[M+NH4]+ 277.202283 177.9
[M+K]+ 298.131618 166.2
[M+H-H2O]+ 242.165720 152.1
[M+HCOO]- 304.166661 185.5
[M+CH3COO]- 318.182311 202.8
[M+Na-2H]- 280.143126 164.8
[M]+ 259.16791142 165.5
[M]- 259.16900858 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.