CID 6328258

3,4-dihydro-8-chloro-1-benzoxepin-5(2h)-one o-(2-(dimethylamino)ethyl)oxime hydrochloride

Structural Information

Molecular Formula
C14H19ClN2O2
SMILES
CN(C)CCO/N=C/1\CCCOC2=C1C=CC(=C2)Cl
InChI
InChI=1S/C14H19ClN2O2/c1-17(2)7-9-19-16-13-4-3-8-18-14-10-11(15)5-6-12(13)14/h5-6,10H,3-4,7-9H2,1-2H3/b16-13+
InChIKey
MKWKMVKAHFDZMG-DTQAZKPQSA-N
Compound name
2-[(E)-(8-chloro-3,4-dihydro-2H-1-benzoxepin-5-ylidene)amino]oxy-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.1135 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.12078 163.4
[M+Na]+ 305.10272 173.5
[M+NH4]+ 300.14732 171.2
[M+K]+ 321.07666 167.7
[M-H]- 281.10622 168.1
[M+Na-2H]- 303.08817 168.4
[M]+ 282.11295 166.4
[M]- 282.11405 166.4
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.