CID 54846604

2219380-00-2

Structural Information

Molecular Formula
C14H12N2O
SMILES
C1=CC=C2C=C(C=CC2=C1)C3=CC(=NO3)CN
InChI
InChI=1S/C14H12N2O/c15-9-13-8-14(17-16-13)12-6-5-10-3-1-2-4-11(10)7-12/h1-8H,9,15H2
InChIKey
QFWPFRVYYPVNQC-UHFFFAOYSA-N
Compound name
(5-naphthalen-2-yl-1,2-oxazol-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.09496 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.10224 148.0
[M+Na]+ 247.08418 163.8
[M+NH4]+ 242.12878 157.5
[M+K]+ 263.05812 157.7
[M-H]- 223.08768 154.7
[M+Na-2H]- 245.06963 157.5
[M]+ 224.09441 152.3
[M]- 224.09551 152.3
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.