CID 6914408

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

Structural Information

Molecular Formula
C20H24N2O
SMILES
C1CCN(CC1)CCO/N=C\2/CCC3=C2C=CC4=CC=CC=C34
InChI
InChI=1S/C20H24N2O/c1-4-12-22(13-5-1)14-15-23-21-20-11-10-18-17-7-3-2-6-16(17)8-9-19(18)20/h2-3,6-9H,1,4-5,10-15H2/b21-20-
InChIKey
LDSNZCUCRWAUQO-MRCUWXFGSA-N
Compound name
(Z)-N-(2-piperidin-1-ylethoxy)-1,2-dihydrocyclopenta[a]naphthalen-3-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.18887 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.196146 172.7
[M+Na]+ 331.178088 176.8
[M-H]- 307.181594 179.3
[M+NH4]+ 326.222693 189.6
[M+K]+ 347.152028 171.4
[M+H-H2O]+ 291.186130 162.9
[M+HCOO]- 353.187071 191.1
[M+CH3COO]- 367.202721 182.5
[M+Na-2H]- 329.163536 176.0
[M]+ 308.18832142 169.2
[M]- 308.18941858 169.2
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

patents stripe