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 169.9
[M+Na]+ 319.17809 176.0
[M-H]- 295.18159 176.7
[M+NH4]+ 314.22269 184.6
[M+K]+ 335.15203 177.3
[M+H-H2O]+ 279.18613 162.6
[M+HCOO]- 341.18707 188.4
[M+CH3COO]- 355.20272 180.8
[M+Na-2H]- 317.16354 175.9
[M]+ 296.18832 170.4
[M]- 296.18942 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.