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]+ 348.207046 186.9
[M+Na]+ 370.188988 191.3
[M-H]- 346.192494 190.6
[M+NH4]+ 365.233593 195.2
[M+K]+ 386.162928 184.1
[M+H-H2O]+ 330.197030 174.6
[M+HCOO]- 392.197971 198.6
[M+CH3COO]- 406.213621 194.0
[M+Na-2H]- 368.174436 189.3
[M]+ 347.19922142 181.7
[M]- 347.20031858 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.