CID 3064634

105124-71-8

Structural Information

Molecular Formula
C18H28N2O
SMILES
CN(C)CCCN1CCO[C@@H]2[C@@H]1CCCC3=CC=CC=C23
InChI
InChI=1S/C18H28N2O/c1-19(2)11-6-12-20-13-14-21-18-16-9-4-3-7-15(16)8-5-10-17(18)20/h3-4,7,9,17-18H,5-6,8,10-14H2,1-2H3/t17-,18-/m0/s1
InChIKey
IUPXNHMQUXEGNP-ROUUACIJSA-N
Compound name
N,N-dimethyl-3-[(2S,7S)-3-oxa-6-azatricyclo[9.4.0.02,7]pentadeca-1(15),11,13-trien-6-yl]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.22015 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.22743 171.7
[M+Na]+ 311.20937 181.2
[M+NH4]+ 306.25397 179.9
[M+K]+ 327.18331 175.0
[M-H]- 287.21287 176.2
[M+Na-2H]- 309.19482 175.1
[M]+ 288.21960 174.3
[M]- 288.22070 174.3
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.