CID 199979

5372-13-4

Structural Information

Molecular Formula
C16H23N3O
SMILES
CCN(CC)CCOC1=CC(=NN1C2=CC=CC=C2)C
InChI
InChI=1S/C16H23N3O/c1-4-18(5-2)11-12-20-16-13-14(3)17-19(16)15-9-7-6-8-10-15/h6-10,13H,4-5,11-12H2,1-3H3
InChIKey
BPDKYROJEGRHLU-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-(5-methyl-2-phenylpyrazol-3-yl)oxyethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.1841 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.191376 166.1
[M+Na]+ 296.173318 172.8
[M-H]- 272.176824 171.3
[M+NH4]+ 291.217923 181.9
[M+K]+ 312.147258 170.1
[M+H-H2O]+ 256.181360 156.5
[M+HCOO]- 318.182301 189.7
[M+CH3COO]- 332.197951 205.8
[M+Na-2H]- 294.158766 168.8
[M]+ 273.18355142 170.4
[M]- 273.18464858 170.4
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.