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]+ 297.196146 169.9
[M+Na]+ 319.178088 176.0
[M-H]- 295.181594 176.7
[M+NH4]+ 314.222693 184.6
[M+K]+ 335.152028 177.3
[M+H-H2O]+ 279.186130 162.6
[M+HCOO]- 341.187071 188.4
[M+CH3COO]- 355.202721 180.8
[M+Na-2H]- 317.163536 175.9
[M]+ 296.18832142 170.4
[M]- 296.18941858 170.4
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.