CID 177949

Dabelotine

Structural Information

Molecular Formula
C15H22N2O2
SMILES
CN1CCCC2=C1C(=CC=C2)OCC3CNCCO3
InChI
InChI=1S/C15H22N2O2/c1-17-8-3-5-12-4-2-6-14(15(12)17)19-11-13-10-16-7-9-18-13/h2,4,6,13,16H,3,5,7-11H2,1H3
InChIKey
VXQWMLATWQSCBE-UHFFFAOYSA-N
Compound name
2-[(1-methyl-3,4-dihydro-2H-quinolin-8-yl)oxymethyl]morpholine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

237
Patents

262.16812 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.175396 162.7
[M+Na]+ 285.157338 166.5
[M-H]- 261.160844 165.0
[M+NH4]+ 280.201943 175.0
[M+K]+ 301.131278 163.4
[M+H-H2O]+ 245.165380 153.0
[M+HCOO]- 307.166321 174.5
[M+CH3COO]- 321.181971 171.5
[M+Na-2H]- 283.142786 166.8
[M]+ 262.16757142 156.9
[M]- 262.16866858 156.9
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

patents stripe