CID 3080011

Brn 4510883

Structural Information

Molecular Formula
C21H23N3O
SMILES
C1CN(CCN1CC(C2=NC3=CC=CC=C3C=C2)O)C4=CC=CC=C4
InChI
InChI=1S/C21H23N3O/c25-21(20-11-10-17-6-4-5-9-19(17)22-20)16-23-12-14-24(15-13-23)18-7-2-1-3-8-18/h1-11,21,25H,12-16H2
InChIKey
BSZPDHKQIPAISQ-UHFFFAOYSA-N
Compound name
2-(4-phenylpiperazin-1-yl)-1-quinolin-2-ylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.1841 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.19138 181.5
[M+Na]+ 356.17332 185.5
[M-H]- 332.17682 185.0
[M+NH4]+ 351.21792 190.0
[M+K]+ 372.14726 178.5
[M+H-H2O]+ 316.18136 169.2
[M+HCOO]- 378.18230 193.6
[M+CH3COO]- 392.19795 188.8
[M+Na-2H]- 354.15877 185.3
[M]+ 333.18355 175.6
[M]- 333.18465 175.6
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.