CID 3080015

Brn 4525654

Structural Information

Molecular Formula
C22H25N3O
SMILES
CC1=CC(=CC=C1)N2CCN(CC2)CC(C3=NC4=CC=CC=C4C=C3)O
InChI
InChI=1S/C22H25N3O/c1-17-5-4-7-19(15-17)25-13-11-24(12-14-25)16-22(26)21-10-9-18-6-2-3-8-20(18)23-21/h2-10,15,22,26H,11-14,16H2,1H3
InChIKey
WYTGKBPPHLDNLU-UHFFFAOYSA-N
Compound name
2-[4-(3-methylphenyl)piperazin-1-yl]-1-quinolin-2-ylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.19977 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.20705 186.9
[M+Na]+ 370.18899 191.3
[M-H]- 346.19249 190.6
[M+NH4]+ 365.23359 195.2
[M+K]+ 386.16293 184.1
[M+H-H2O]+ 330.19703 174.6
[M+HCOO]- 392.19797 198.6
[M+CH3COO]- 406.21362 194.0
[M+Na-2H]- 368.17444 189.3
[M]+ 347.19922 181.7
[M]- 347.20032 181.7
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.