CID 736012

95888-12-3

Structural Information

Molecular Formula

C₁₇H₁₂N₂O

SMILES

C1=CC=C2C=C(C=CC2=C1)C3=NC4=C(O3)C=CC(=C4)N

InChI

InChI=1S/C17H12N2O/c18-14-7-8-16-15(10-14)19-17(20-16)13-6-5-11-3-1-2-4-12(11)9-13/h1-10H,18H2

InChIKey

YUVSHBCMUZGXKP-UHFFFAOYSA-N

Compound name

2-naphthalen-2-yl-1,3-benzoxazol-5-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
Patents: 260.09497 Da
Monoisotopic Mass: 4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe