CID 379223

Nsc663637

Structural Information

Molecular Formula
C14H14N2O
SMILES
CN(C1=CC=CC2=CC=CC=C21)C3=NCCO3
InChI
InChI=1S/C14H14N2O/c1-16(14-15-9-10-17-14)13-8-4-6-11-5-2-3-7-12(11)13/h2-8H,9-10H2,1H3
InChIKey
IPAHKTWWNUVYLX-UHFFFAOYSA-N
Compound name
N-methyl-N-naphthalen-1-yl-4,5-dihydro-1,3-oxazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

226.11061 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.11789 149.9
[M+Na]+ 249.09983 164.0
[M+NH4]+ 244.14443 159.8
[M+K]+ 265.07377 158.4
[M-H]- 225.10333 156.7
[M+Na-2H]- 247.08528 158.6
[M]+ 226.11006 153.9
[M]- 226.11116 153.9
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