CID 3047032

62833-06-1

Structural Information

Molecular Formula
C23H27N3O2
SMILES
C1CN(CCC1O)CCCOC2=NN(C=C2C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C23H27N3O2/c27-21-12-15-25(16-13-21)14-7-17-28-23-22(19-8-3-1-4-9-19)18-26(24-23)20-10-5-2-6-11-20/h1-6,8-11,18,21,27H,7,12-17H2
InChIKey
GCSAGPMIVMTEGX-UHFFFAOYSA-N
Compound name
1-[3-(1,4-diphenylpyrazol-3-yl)oxypropyl]piperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.21033 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.21761 192.3
[M+Na]+ 400.19955 196.2
[M-H]- 376.20305 198.5
[M+NH4]+ 395.24415 199.9
[M+K]+ 416.17349 189.4
[M+H-H2O]+ 360.20759 179.6
[M+HCOO]- 422.20853 207.3
[M+CH3COO]- 436.22418 199.7
[M+Na-2H]- 398.18500 191.7
[M]+ 377.20978 189.0
[M]- 377.21088 189.0
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.