CID 199980

Pyrazole, 5-(2-(dipropylamino)ethoxy)-3-methyl-1-phenyl-

Structural Information

Molecular Formula
C18H27N3O
SMILES
CCCN(CCC)CCOC1=CC(=NN1C2=CC=CC=C2)C
InChI
InChI=1S/C18H27N3O/c1-4-11-20(12-5-2)13-14-22-18-15-16(3)19-21(18)17-9-7-6-8-10-17/h6-10,15H,4-5,11-14H2,1-3H3
InChIKey
HFRKYKIFNKPQBE-UHFFFAOYSA-N
Compound name
N-[2-(5-methyl-2-phenylpyrazol-3-yl)oxyethyl]-N-propylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.21542 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.22270 175.2
[M+Na]+ 324.20464 181.0
[M-H]- 300.20814 180.1
[M+NH4]+ 319.24924 189.9
[M+K]+ 340.17858 177.9
[M+H-H2O]+ 284.21268 165.2
[M+HCOO]- 346.21362 198.1
[M+CH3COO]- 360.22927 211.7
[M+Na-2H]- 322.19009 176.8
[M]+ 301.21487 180.2
[M]- 301.21597 180.2
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.