CID 5745450

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

Structural Information

Molecular Formula
C16H24N2O3
SMILES
CN(C)CCCO/N=C/1\CCCOC2=C1C=C(C=C2)OC
InChI
InChI=1S/C16H24N2O3/c1-18(2)9-5-11-21-17-15-6-4-10-20-16-8-7-13(19-3)12-14(15)16/h7-8,12H,4-6,9-11H2,1-3H3/b17-15+
InChIKey
CJMOPHWISXMYQZ-BMRADRMJSA-N
Compound name
3-[(E)-(7-methoxy-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

292.17868 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.18596 166.1
[M+Na]+ 315.16790 169.4
[M-H]- 291.17140 174.1
[M+NH4]+ 310.21250 181.1
[M+K]+ 331.14184 174.4
[M+H-H2O]+ 275.17594 159.0
[M+HCOO]- 337.17688 188.5
[M+CH3COO]- 351.19253 213.2
[M+Na-2H]- 313.15335 171.4
[M]+ 292.17813 167.6
[M]- 292.17923 167.6
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.