CID 6914381

1-benzoxepin-5(2h)-one, 3,4-dihydro-7-chloro-, o-(2-(diethylamino)ethyl)oxime, monohydrochloride

Structural Information

Molecular Formula
C16H23ClN2O2
SMILES
CCN(CC)CCO/N=C\1/CCCOC2=C1C=C(C=C2)Cl
InChI
InChI=1S/C16H23ClN2O2/c1-3-19(4-2)9-11-21-18-15-6-5-10-20-16-8-7-13(17)12-14(15)16/h7-8,12H,3-6,9-11H2,1-2H3/b18-15-
InChIKey
POZMTECAMXQEBZ-SDXDJHTJSA-N
Compound name
2-[(Z)-(7-chloro-3,4-dihydro-2H-1-benzoxepin-5-ylidene)amino]oxy-N,N-diethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.1448 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.152076 171.3
[M+Na]+ 333.134018 176.2
[M-H]- 309.137524 178.9
[M+NH4]+ 328.178623 186.7
[M+K]+ 349.107958 178.7
[M+H-H2O]+ 293.142060 164.4
[M+HCOO]- 355.143001 189.3
[M+CH3COO]- 369.158651 214.6
[M+Na-2H]- 331.119466 176.0
[M]+ 310.14425142 173.4
[M]- 310.14534858 173.4
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.