CID 3047016

1-propanamine, 3-((1,4-diphenyl-1h-pyrazol-3-yl)oxy)-n-methyl-, monohydrochloride

Structural Information

Molecular Formula
C19H21N3O
SMILES
CNCCCOC1=NN(C=C1C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C19H21N3O/c1-20-13-8-14-23-19-18(16-9-4-2-5-10-16)15-22(21-19)17-11-6-3-7-12-17/h2-7,9-12,15,20H,8,13-14H2,1H3
InChIKey
MTHFJYBAZWIWMH-UHFFFAOYSA-N
Compound name
3-(1,4-diphenylpyrazol-3-yl)oxy-N-methylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.16846 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.17574 172.6
[M+Na]+ 330.15768 179.0
[M-H]- 306.16118 179.5
[M+NH4]+ 325.20228 185.7
[M+K]+ 346.13162 173.5
[M+H-H2O]+ 290.16572 161.9
[M+HCOO]- 352.16666 195.9
[M+CH3COO]- 366.18231 183.3
[M+Na-2H]- 328.14313 176.8
[M]+ 307.16791 173.9
[M]- 307.16901 173.9
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.