CID 6914407

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

Structural Information

Molecular Formula
C19H22N2O
SMILES
C1CCN(C1)CCO/N=C\2/CCC3=C2C=CC4=CC=CC=C34
InChI
InChI=1S/C19H22N2O/c1-2-6-16-15(5-1)7-8-18-17(16)9-10-19(18)20-22-14-13-21-11-3-4-12-21/h1-2,5-8H,3-4,9-14H2/b20-19-
InChIKey
FHXZDAOWBUINGT-VXPUYCOJSA-N
Compound name
(Z)-N-(2-pyrrolidin-1-ylethoxy)-1,2-dihydrocyclopenta[a]naphthalen-3-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

294.17322 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.18050 169.3
[M+Na]+ 317.16244 174.8
[M-H]- 293.16594 176.9
[M+NH4]+ 312.20704 188.9
[M+K]+ 333.13638 169.9
[M+H-H2O]+ 277.17048 160.8
[M+HCOO]- 339.17142 190.5
[M+CH3COO]- 353.18707 180.4
[M+Na-2H]- 315.14789 171.3
[M]+ 294.17267 168.0
[M]- 294.17377 168.0
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