CID 6914381

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

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]+ 311.15208 171.3
[M+Na]+ 333.13402 176.2
[M-H]- 309.13752 178.9
[M+NH4]+ 328.17862 186.7
[M+K]+ 349.10796 178.7
[M+H-H2O]+ 293.14206 164.4
[M+HCOO]- 355.14300 189.3
[M+CH3COO]- 369.15865 214.6
[M+Na-2H]- 331.11947 176.0
[M]+ 310.14425 173.4
[M]- 310.14535 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.