CID 199937

Alpha-(5-methyl-1-(2-pyridyl)-4-pyrazolyl)-4-(o-tolyl)-1-piperazinepropanol hydrochloride

Structural Information

Molecular Formula
C23H29N5O
SMILES
CC1=CC=CC=C1N2CCN(CC2)CCC(C3=C(N(N=C3)C4=CC=CC=N4)C)O
InChI
InChI=1S/C23H29N5O/c1-18-7-3-4-8-21(18)27-15-13-26(14-16-27)12-10-22(29)20-17-25-28(19(20)2)23-9-5-6-11-24-23/h3-9,11,17,22,29H,10,12-16H2,1-2H3
InChIKey
YMQLFDLZYDJWMT-UHFFFAOYSA-N
Compound name
3-[4-(2-methylphenyl)piperazin-1-yl]-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.2372 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.24448 198.7
[M+Na]+ 414.22642 203.4
[M-H]- 390.22992 202.8
[M+NH4]+ 409.27102 203.4
[M+K]+ 430.20036 195.8
[M+H-H2O]+ 374.23446 185.1
[M+HCOO]- 436.23540 209.7
[M+CH3COO]- 450.25105 204.9
[M+Na-2H]- 412.21187 196.2
[M]+ 391.23665 195.0
[M]- 391.23775 195.0
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.