CID 6914382

7-chloro-3,4-dihydro-1-benzoxepin-o-(morpholinoethyl)-5-one oxime hydrochloride

Structural Information

Molecular Formula
C16H21ClN2O3
SMILES
C1C/C(=N/OCCN2CCOCC2)/C3=C(C=CC(=C3)Cl)OC1
InChI
InChI=1S/C16H21ClN2O3/c17-13-3-4-16-14(12-13)15(2-1-8-21-16)18-22-11-7-19-5-9-20-10-6-19/h3-4,12H,1-2,5-11H2/b18-15-
InChIKey
JWLQQHFQZVYQNW-SDXDJHTJSA-N
Compound name
(Z)-7-chloro-N-(2-morpholin-4-ylethoxy)-3,4-dihydro-2H-1-benzoxepin-5-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.12408 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.13136 173.2
[M+Na]+ 347.11330 177.3
[M-H]- 323.11680 180.8
[M+NH4]+ 342.15790 184.4
[M+K]+ 363.08724 179.4
[M+H-H2O]+ 307.12134 164.3
[M+HCOO]- 369.12228 184.9
[M+CH3COO]- 383.13793 182.6
[M+Na-2H]- 345.09875 178.0
[M]+ 324.12353 170.6
[M]- 324.12463 170.6
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.