CID 6914385

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

Structural Information

Molecular Formula
C15H22N2O3
SMILES
CN(C)CCO/N=C\1/CCCOC2=C1C=C(C=C2)OC
InChI
InChI=1S/C15H22N2O3/c1-17(2)8-10-20-16-14-5-4-9-19-15-7-6-12(18-3)11-13(14)15/h6-7,11H,4-5,8-10H2,1-3H3/b16-14-
InChIKey
FASIPVKXQCAYBI-PEZBUJJGSA-N
Compound name
2-[(Z)-(7-methoxy-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

278.16306 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.170336 161.6
[M+Na]+ 301.152278 165.2
[M-H]- 277.155784 169.7
[M+NH4]+ 296.196883 177.1
[M+K]+ 317.126218 170.5
[M+H-H2O]+ 261.160320 154.7
[M+HCOO]- 323.161261 184.3
[M+CH3COO]- 337.176911 210.4
[M+Na-2H]- 299.137726 167.4
[M]+ 278.16251142 162.8
[M]- 278.16360858 162.8
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.