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]+ 275.211776 162.8
[M+Na]+ 297.193718 165.8
[M-H]- 273.197224 168.3
[M+NH4]+ 292.238323 177.7
[M+K]+ 313.167658 167.5
[M+H-H2O]+ 257.201760 155.3
[M+HCOO]- 319.202701 177.7
[M+CH3COO]- 333.218351 172.5
[M+Na-2H]- 295.179166 167.6
[M]+ 274.20395142 158.1
[M]- 274.20504858 158.1
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.