CID 21039

Ethylamine, 2-((10,11-dihydrodibenz(b,f)oxepin-10-yl)oxy)-n,n-dimethyl-, maleate (1:1)

Structural Information

Molecular Formula
C18H21NO2
SMILES
CN(C)CCOC1CC2=CC=CC=C2OC3=CC=CC=C13
InChI
InChI=1S/C18H21NO2/c1-19(2)11-12-20-18-13-14-7-3-5-9-16(14)21-17-10-6-4-8-15(17)18/h3-10,18H,11-13H2,1-2H3
InChIKey
XFYPOVDBPDGCFO-UHFFFAOYSA-N
Compound name
2-(5,6-dihydrobenzo[b][1]benzoxepin-5-yloxy)-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.15723 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.164506 163.5
[M+Na]+ 306.146448 168.9
[M-H]- 282.149954 171.5
[M+NH4]+ 301.191053 179.6
[M+K]+ 322.120388 171.2
[M+H-H2O]+ 266.154490 157.7
[M+HCOO]- 328.155431 183.8
[M+CH3COO]- 342.171081 175.1
[M+Na-2H]- 304.131896 170.8
[M]+ 283.15668142 164.2
[M]- 283.15777858 164.2
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.