CID 58858

Malononitrile, (n-(2-oxazolin-2-yl)-n-(5,6,7,8-tetrahydro-1-naphthyl)aminomethyl)-

Structural Information

Molecular Formula
C17H18N4O
SMILES
C1CCC2=C(C1)C=CC=C2N(CC(C#N)C#N)C3=NCCO3
InChI
InChI=1S/C17H18N4O/c18-10-13(11-19)12-21(17-20-8-9-22-17)16-7-3-5-14-4-1-2-6-15(14)16/h3,5,7,13H,1-2,4,6,8-9,12H2
InChIKey
YSCCRNNFOIYVEK-UHFFFAOYSA-N
Compound name
2-[[4,5-dihydro-1,3-oxazol-2-yl(5,6,7,8-tetrahydronaphthalen-1-yl)amino]methyl]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.14807 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.15535 173.8
[M+Na]+ 317.13729 181.8
[M-H]- 293.14079 177.1
[M+NH4]+ 312.18189 183.1
[M+K]+ 333.11123 174.9
[M+H-H2O]+ 277.14533 155.8
[M+HCOO]- 339.14627 182.3
[M+CH3COO]- 353.16192 179.0
[M+Na-2H]- 315.12274 173.6
[M]+ 294.14752 163.7
[M]- 294.14862 163.7
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.