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]+ 334.19138 179.1
[M+Na]+ 356.17332 184.5
[M-H]- 332.17682 187.5
[M+NH4]+ 351.21792 191.2
[M+K]+ 372.14726 178.8
[M+H-H2O]+ 316.18136 167.4
[M+HCOO]- 378.18230 198.6
[M+CH3COO]- 392.19795 188.8
[M+Na-2H]- 354.15877 178.5
[M]+ 333.18355 177.7
[M]- 333.18465 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.