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]+ 378.217606 192.3
[M+Na]+ 400.199548 196.2
[M-H]- 376.203054 198.5
[M+NH4]+ 395.244153 199.9
[M+K]+ 416.173488 189.4
[M+H-H2O]+ 360.207590 179.6
[M+HCOO]- 422.208531 207.3
[M+CH3COO]- 436.224181 199.7
[M+Na-2H]- 398.184996 191.7
[M]+ 377.20978142 189.0
[M]- 377.21087858 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.