CID 203774

15150-37-5

Structural Information

Molecular Formula
C19H29N3O
SMILES
CCCN(CCC)CCCOC1=CC(=NN1C2=CC=CC=C2)C
InChI
InChI=1S/C19H29N3O/c1-4-12-21(13-5-2)14-9-15-23-19-16-17(3)20-22(19)18-10-7-6-8-11-18/h6-8,10-11,16H,4-5,9,12-15H2,1-3H3
InChIKey
PWMDWKQYJHABFV-UHFFFAOYSA-N
Compound name
3-(5-methyl-2-phenylpyrazol-3-yl)oxy-N,N-dipropylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.23105 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.23833 179.8
[M+Na]+ 338.22027 185.1
[M-H]- 314.22377 184.4
[M+NH4]+ 333.26487 193.8
[M+K]+ 354.19421 181.7
[M+H-H2O]+ 298.22831 169.5
[M+HCOO]- 360.22925 202.3
[M+CH3COO]- 374.24490 214.7
[M+Na-2H]- 336.20572 180.8
[M]+ 315.23050 185.1
[M]- 315.23160 185.1
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.