CID 6918819

Hla-20

Structural Information

Molecular Formula
C17H19N3O
SMILES
C#CCN1CCN(CC1)CC2=C3C=CC=NC3=C(C=C2)O
InChI
InChI=1S/C17H19N3O/c1-2-8-19-9-11-20(12-10-19)13-14-5-6-16(21)17-15(14)4-3-7-18-17/h1,3-7,21H,8-13H2
InChIKey
JWUOZHTYFQHGAB-UHFFFAOYSA-N
Compound name
5-[(4-prop-2-ynylpiperazin-1-yl)methyl]quinolin-8-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

10
References

93
Patents

281.1528 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.16008 165.6
[M+Na]+ 304.14202 174.1
[M-H]- 280.14552 164.0
[M+NH4]+ 299.18662 175.5
[M+K]+ 320.11596 165.3
[M+H-H2O]+ 264.15006 149.4
[M+HCOO]- 326.15100 173.7
[M+CH3COO]- 340.16665 172.7
[M+Na-2H]- 302.12747 168.2
[M]+ 281.15225 156.0
[M]- 281.15335 156.0
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.