CID 3047028

1h-pyrazole, 1,4-diphenyl-3-(3-(1-pyrrolidinyl)propoxy)-, monomethanesulfonate

Structural Information

Molecular Formula
C22H25N3O
SMILES
C1CCN(C1)CCCOC2=NN(C=C2C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C22H25N3O/c1-3-10-19(11-4-1)21-18-25(20-12-5-2-6-13-20)23-22(21)26-17-9-16-24-14-7-8-15-24/h1-6,10-13,18H,7-9,14-17H2
InChIKey
WRDXFVGURXPQKI-UHFFFAOYSA-N
Compound name
1,4-diphenyl-3-(3-pyrrolidin-1-ylpropoxy)pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.19977 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.20705 183.4
[M+Na]+ 370.18899 188.4
[M-H]- 346.19249 191.6
[M+NH4]+ 365.23359 194.9
[M+K]+ 386.16293 182.5
[M+H-H2O]+ 330.19703 171.5
[M+HCOO]- 392.19797 202.5
[M+CH3COO]- 406.21362 192.7
[M+Na-2H]- 368.17444 182.3
[M]+ 347.19922 182.3
[M]- 347.20032 182.3
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.