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
1
Annotation Hits

0
References

213
Patents

262.16812 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.17540 162.7
[M+Na]+ 285.15734 166.5
[M-H]- 261.16084 165.0
[M+NH4]+ 280.20194 175.0
[M+K]+ 301.13128 163.4
[M+H-H2O]+ 245.16538 153.0
[M+HCOO]- 307.16632 174.5
[M+CH3COO]- 321.18197 171.5
[M+Na-2H]- 283.14279 166.8
[M]+ 262.16757 156.9
[M]- 262.16867 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