CID 650480

95888-03-2

Structural Information

Molecular Formula
C17H12N2O
SMILES
C1=CC=C2C(=C1)C=CC=C2C3=NC4=C(O3)C=CC(=C4)N
InChI
InChI=1S/C17H12N2O/c18-12-8-9-16-15(10-12)19-17(20-16)14-7-3-5-11-4-1-2-6-13(11)14/h1-10H,18H2
InChIKey
NCQQMVULPNMPEH-UHFFFAOYSA-N
Compound name
2-naphthalen-1-yl-1,3-benzoxazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

33
Patents

260.09497 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.10225 156.6
[M+Na]+ 283.08419 167.8
[M-H]- 259.08769 165.2
[M+NH4]+ 278.12879 174.2
[M+K]+ 299.05813 162.7
[M+H-H2O]+ 243.09223 148.6
[M+HCOO]- 305.09317 180.1
[M+CH3COO]- 319.10882 170.1
[M+Na-2H]- 281.06964 165.1
[M]+ 260.09442 158.6
[M]- 260.09552 158.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe