CID 3070589

86640-32-6

Structural Information

Molecular Formula
C19H24N2O
SMILES
CCN1C2=CC=CC=C2C(OC3=CC=CC=C31)CCN(C)C
InChI
InChI=1S/C19H24N2O/c1-4-21-16-10-6-5-9-15(16)18(13-14-20(2)3)22-19-12-8-7-11-17(19)21/h5-12,18H,4,13-14H2,1-3H3
InChIKey
RJRHUVSHYAMYDV-UHFFFAOYSA-N
Compound name
2-(11-ethyl-6H-benzo[c][1,5]benzoxazepin-6-yl)-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.18887 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.19615 172.4
[M+Na]+ 319.17809 184.6
[M+NH4]+ 314.22269 180.6
[M+K]+ 335.15203 177.8
[M-H]- 295.18159 177.5
[M+Na-2H]- 317.16354 177.8
[M]+ 296.18832 175.8
[M]- 296.18942 175.8
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.