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]+ 309.19615 172.7
[M+Na]+ 331.17809 176.8
[M-H]- 307.18159 179.3
[M+NH4]+ 326.22269 189.6
[M+K]+ 347.15203 171.4
[M+H-H2O]+ 291.18613 162.9
[M+HCOO]- 353.18707 191.1
[M+CH3COO]- 367.20272 182.5
[M+Na-2H]- 329.16354 176.0
[M]+ 308.18832 169.2
[M]- 308.18942 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