CID 29711

Dl-11-(2-n-dimethylaminoethyl)-dibenzo(b,e)(1,4)oxazepine hydrochloride

Structural Information

Molecular Formula
C17H20N2O
SMILES
CN(C)CCC1C2=CC=CC=C2NC3=CC=CC=C3O1
InChI
InChI=1S/C17H20N2O/c1-19(2)12-11-16-13-7-3-4-8-14(13)18-15-9-5-6-10-17(15)20-16/h3-10,16,18H,11-12H2,1-2H3
InChIKey
APZLQOUDYCBAEH-UHFFFAOYSA-N
Compound name
2-(6,11-dihydrobenzo[c][1,5]benzoxazepin-6-yl)-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.15756 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.16484 160.6
[M+Na]+ 291.14678 166.3
[M-H]- 267.15028 166.2
[M+NH4]+ 286.19138 175.5
[M+K]+ 307.12072 167.3
[M+H-H2O]+ 251.15482 153.8
[M+HCOO]- 313.15576 178.5
[M+CH3COO]- 327.17141 171.5
[M+Na-2H]- 289.13223 168.0
[M]+ 268.15701 158.5
[M]- 268.15811 158.5
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.