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]+ 281.164836 164.1
[M+Na]+ 303.146778 170.6
[M-H]- 279.150284 170.5
[M+NH4]+ 298.191383 180.4
[M+K]+ 319.120718 171.1
[M+H-H2O]+ 263.154820 157.0
[M+HCOO]- 325.155761 185.2
[M+CH3COO]- 339.171411 175.5
[M+Na-2H]- 301.132226 171.7
[M]+ 280.15701142 164.7
[M]- 280.15810858 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.