CID 28822

17895-76-0

Structural Information

Molecular Formula
C18H20N2O
SMILES
CN(C)CCOC1C2=C(C=CC3=CC=CC=C13)N=CC=C2
InChI
InChI=1S/C18H20N2O/c1-20(2)12-13-21-18-15-7-4-3-6-14(15)9-10-17-16(18)8-5-11-19-17/h3-11,18H,12-13H2,1-2H3
InChIKey
MMJOBDVNBROLRD-UHFFFAOYSA-N
Compound name
2-(7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-yloxy)-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.15756 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.16484 164.1
[M+Na]+ 303.14678 170.6
[M-H]- 279.15028 170.5
[M+NH4]+ 298.19138 180.4
[M+K]+ 319.12072 171.1
[M+H-H2O]+ 263.15482 157.0
[M+HCOO]- 325.15576 185.2
[M+CH3COO]- 339.17141 175.5
[M+Na-2H]- 301.13223 171.7
[M]+ 280.15701 164.7
[M]- 280.15811 164.7
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.