CID 3064633

105124-70-7

Structural Information

Molecular Formula
C17H26N2O
SMILES
CN(C)CCN1CCO[C@@H]2[C@@H]1CCCC3=CC=CC=C23
InChI
InChI=1S/C17H26N2O/c1-18(2)10-11-19-12-13-20-17-15-8-4-3-6-14(15)7-5-9-16(17)19/h3-4,6,8,16-17H,5,7,9-13H2,1-2H3/t16-,17-/m0/s1
InChIKey
LWMRMLRWUQSCIU-IRXDYDNUSA-N
Compound name
N,N-dimethyl-2-[(2S,7S)-3-oxa-6-azatricyclo[9.4.0.02,7]pentadeca-1(15),11,13-trien-6-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.2045 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.21178 167.3
[M+Na]+ 297.19372 177.0
[M+NH4]+ 292.23832 175.7
[M+K]+ 313.16766 171.0
[M-H]- 273.19722 171.9
[M+Na-2H]- 295.17917 171.0
[M]+ 274.20395 170.0
[M]- 274.20505 170.0
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.