CID 6914384

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

Structural Information

Molecular Formula
C15H21ClN2O2
SMILES
CN(C)CCCO/N=C\1/CCCOC2=C1C=C(C=C2)Cl
InChI
InChI=1S/C15H21ClN2O2/c1-18(2)8-4-10-20-17-14-5-3-9-19-15-7-6-12(16)11-13(14)15/h6-7,11H,3-5,8-10H2,1-2H3/b17-14-
InChIKey
SWSWIGIWZJHZQX-VKAVYKQESA-N
Compound name
3-[(Z)-(7-chloro-3,4-dihydro-2H-1-benzoxepin-5-ylidene)amino]oxy-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.12915 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.13643 166.7
[M+Na]+ 319.11837 172.1
[M-H]- 295.12187 174.5
[M+NH4]+ 314.16297 182.7
[M+K]+ 335.09231 174.8
[M+H-H2O]+ 279.12641 160.1
[M+HCOO]- 341.12735 185.1
[M+CH3COO]- 355.14300 211.8
[M+Na-2H]- 317.10382 171.9
[M]+ 296.12860 168.6
[M]- 296.12970 168.6
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.