CID 6914410

3h-benz(e)inden-3-one, 1,2-dihydro-, 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]+ 311.175396 171.1
[M+Na]+ 333.157338 175.8
[M-H]- 309.160844 178.6
[M+NH4]+ 328.201943 186.6
[M+K]+ 349.131278 172.3
[M+H-H2O]+ 293.165380 161.7
[M+HCOO]- 355.166321 189.2
[M+CH3COO]- 369.181971 181.4
[M+Na-2H]- 331.142786 175.7
[M]+ 310.16757142 169.3
[M]- 310.16866858 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.