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

28
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

literature stripe

Patent stripe

patents stripe