CID 118270

Brn 1485949

Structural Information

Molecular Formula
C18H22N2O
SMILES
CN(C)CCOC1C2=CC=CC=C2CCC3=C1C=NC=C3
InChI
InChI=1S/C18H22N2O/c1-20(2)11-12-21-18-16-6-4-3-5-14(16)7-8-15-9-10-19-13-17(15)18/h3-6,9-10,13,18H,7-8,11-12H2,1-2H3
InChIKey
XJMIRJZHCFTVJF-UHFFFAOYSA-N
Compound name
2-(5-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-yloxy)-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.17322 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.18050 164.7
[M+Na]+ 305.16244 170.2
[M-H]- 281.16594 170.7
[M+NH4]+ 300.20704 180.8
[M+K]+ 321.13638 170.8
[M+H-H2O]+ 265.17048 157.5
[M+HCOO]- 327.17142 184.4
[M+CH3COO]- 341.18707 175.6
[M+Na-2H]- 303.14789 171.4
[M]+ 282.17267 164.0
[M]- 282.17377 164.0
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.