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]+ 348.207046 183.4
[M+Na]+ 370.188988 188.4
[M-H]- 346.192494 191.6
[M+NH4]+ 365.233593 194.9
[M+K]+ 386.162928 182.5
[M+H-H2O]+ 330.197030 171.5
[M+HCOO]- 392.197971 202.5
[M+CH3COO]- 406.213621 192.7
[M+Na-2H]- 368.174436 182.3
[M]+ 347.19922142 182.3
[M]- 347.20031858 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.