CID 6914410

1,2-dihydro-3h-benz(e)inden-3-one o-(2-(4-morpholinyl)ethyl)oxime monohydrochloride

Structural Information

Molecular Formula
C19H22N2O2
SMILES
C1C/C(=N/OCCN2CCOCC2)/C3=C1C4=CC=CC=C4C=C3
InChI
InChI=1S/C19H22N2O2/c1-2-4-16-15(3-1)5-6-18-17(16)7-8-19(18)20-23-14-11-21-9-12-22-13-10-21/h1-6H,7-14H2/b20-19-
InChIKey
NXPPDNAORQDJIT-VXPUYCOJSA-N
Compound name
(Z)-N-(2-morpholin-4-ylethoxy)-1,2-dihydrocyclopenta[a]naphthalen-3-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.16812 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.17540 171.1
[M+Na]+ 333.15734 175.8
[M-H]- 309.16084 178.6
[M+NH4]+ 328.20194 186.6
[M+K]+ 349.13128 172.3
[M+H-H2O]+ 293.16538 161.7
[M+HCOO]- 355.16632 189.2
[M+CH3COO]- 369.18197 181.4
[M+Na-2H]- 331.14279 175.7
[M]+ 310.16757 169.3
[M]- 310.16867 169.3
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.