CID 21039

10-(2-dimethylaminoethoxy)-10,11-dihydrodibenz(b,f)oxepin hydrogen maleate

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]+ 284.16451 163.5
[M+Na]+ 306.14645 168.9
[M-H]- 282.14995 171.5
[M+NH4]+ 301.19105 179.6
[M+K]+ 322.12039 171.2
[M+H-H2O]+ 266.15449 157.7
[M+HCOO]- 328.15543 183.8
[M+CH3COO]- 342.17108 175.1
[M+Na-2H]- 304.13190 170.8
[M]+ 283.15668 164.2
[M]- 283.15778 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.