CID 6914385

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

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]+ 279.17034 161.6
[M+Na]+ 301.15228 165.2
[M-H]- 277.15578 169.7
[M+NH4]+ 296.19688 177.1
[M+K]+ 317.12622 170.5
[M+H-H2O]+ 261.16032 154.7
[M+HCOO]- 323.16126 184.3
[M+CH3COO]- 337.17691 210.4
[M+Na-2H]- 299.13773 167.4
[M]+ 278.16251 162.8
[M]- 278.16361 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.