CID 3080012

Brn 4454793

Structural Information

Molecular Formula
C16H21N3O
SMILES
CN1CCN(CC1)CC(C2=NC3=CC=CC=C3C=C2)O
InChI
InChI=1S/C16H21N3O/c1-18-8-10-19(11-9-18)12-16(20)15-7-6-13-4-2-3-5-14(13)17-15/h2-7,16,20H,8-12H2,1H3
InChIKey
YVMAJGKUXBMXJB-UHFFFAOYSA-N
Compound name
2-(4-methylpiperazin-1-yl)-1-quinolin-2-ylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.16846 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.17574 166.1
[M+Na]+ 294.15768 171.1
[M-H]- 270.16118 167.0
[M+NH4]+ 289.20228 178.0
[M+K]+ 310.13162 166.0
[M+H-H2O]+ 254.16572 155.8
[M+HCOO]- 316.16666 178.7
[M+CH3COO]- 330.18231 174.8
[M+Na-2H]- 292.14313 170.1
[M]+ 271.16791 161.4
[M]- 271.16901 161.4
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.