CID 3058282

Benzoxazole, 2-(1h-indol-3-ylmethyl)-

Structural Information

Molecular Formula
C16H12N2O
SMILES
C1=CC=C2C(=C1)C(=CN2)CC3=NC4=CC=CC=C4O3
InChI
InChI=1S/C16H12N2O/c1-2-6-13-12(5-1)11(10-17-13)9-16-18-14-7-3-4-8-15(14)19-16/h1-8,10,17H,9H2
InChIKey
ASFPQWRPGFADLI-UHFFFAOYSA-N
Compound name
2-(1H-indol-3-ylmethyl)-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.09496 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.102236 152.3
[M+Na]+ 271.084178 164.4
[M-H]- 247.087684 159.1
[M+NH4]+ 266.128783 170.7
[M+K]+ 287.058118 159.1
[M+H-H2O]+ 231.092220 145.0
[M+HCOO]- 293.093161 175.3
[M+CH3COO]- 307.108811 166.1
[M+Na-2H]- 269.069626 159.8
[M]+ 248.09441142 156.3
[M]- 248.09550858 156.3
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.