CID 3064021

2-(5,6,7,8-tetrahydronaphthylimino)-1-(2-chloroethyl)oxazolidine hydrochloride

Structural Information

Molecular Formula
C15H19ClN2O
SMILES
C1CCC2=C(C1)C=CC=C2N=C3N(CCO3)CCCl
InChI
InChI=1S/C15H19ClN2O/c16-8-9-18-10-11-19-15(18)17-14-7-3-5-12-4-1-2-6-13(12)14/h3,5,7H,1-2,4,6,8-11H2
InChIKey
RSTBJZYRAIRWEU-UHFFFAOYSA-N
Compound name
3-(2-chloroethyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,3-oxazolidin-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.1186 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.125876 165.8
[M+Na]+ 301.107818 171.8
[M-H]- 277.111324 172.5
[M+NH4]+ 296.152423 182.9
[M+K]+ 317.081758 167.6
[M+H-H2O]+ 261.115860 157.7
[M+HCOO]- 323.116801 180.6
[M+CH3COO]- 337.132451 176.8
[M+Na-2H]- 299.093266 168.9
[M]+ 278.11805142 164.7
[M]- 278.11914858 164.7
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.