CID 3070587

Dl-11-(2-n-dimethylaminoethyl)-5-methyl-dibenzo(b,e)(1,4)oxazepine fumarate

Structural Information

Molecular Formula
C18H22N2O
SMILES
CN1C2=CC=CC=C2C(OC3=CC=CC=C31)CCN(C)C
InChI
InChI=1S/C18H22N2O/c1-19(2)13-12-17-14-8-4-5-9-15(14)20(3)16-10-6-7-11-18(16)21-17/h4-11,17H,12-13H2,1-3H3
InChIKey
MYFFRYNCXGVUFI-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-(11-methyl-6H-benzo[c][1,5]benzoxazepin-6-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.17322 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.18050 165.3
[M+Na]+ 305.16244 171.9
[M-H]- 281.16594 172.3
[M+NH4]+ 300.20704 180.6
[M+K]+ 321.13638 173.4
[M+H-H2O]+ 265.17048 158.2
[M+HCOO]- 327.17142 184.2
[M+CH3COO]- 341.18707 176.7
[M+Na-2H]- 303.14789 171.8
[M]+ 282.17267 165.5
[M]- 282.17377 165.5
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.