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 167.3
[M+Na]+ 311.20937 169.8
[M-H]- 287.21287 172.6
[M+NH4]+ 306.25397 181.6
[M+K]+ 327.18331 171.3
[M+H-H2O]+ 271.21741 159.6
[M+HCOO]- 333.21835 181.9
[M+CH3COO]- 347.23400 176.6
[M+Na-2H]- 309.19482 171.6
[M]+ 288.21960 162.9
[M]- 288.22070 162.9
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

No patent data available for this compound.