CID 3047008

1h-pyrazole, 1,4-diphenyl-3-(2-(1-pyrrolidinyl)ethoxy)-, monomethanesulfonate

Structural Information

Molecular Formula
C21H23N3O
SMILES
C1CCN(C1)CCOC2=NN(C=C2C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C21H23N3O/c1-3-9-18(10-4-1)20-17-24(19-11-5-2-6-12-19)22-21(20)25-16-15-23-13-7-8-14-23/h1-6,9-12,17H,7-8,13-16H2
InChIKey
AMCRTZRMLFFKAO-UHFFFAOYSA-N
Compound name
1,4-diphenyl-3-(2-pyrrolidin-1-ylethoxy)pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.1841 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.191376 179.1
[M+Na]+ 356.173318 184.5
[M-H]- 332.176824 187.5
[M+NH4]+ 351.217923 191.2
[M+K]+ 372.147258 178.8
[M+H-H2O]+ 316.181360 167.4
[M+HCOO]- 378.182301 198.6
[M+CH3COO]- 392.197951 188.8
[M+Na-2H]- 354.158766 178.5
[M]+ 333.18355142 177.7
[M]- 333.18464858 177.7
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.