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]+ 249.10224 152.3
[M+Na]+ 271.08418 164.4
[M-H]- 247.08768 159.1
[M+NH4]+ 266.12878 170.7
[M+K]+ 287.05812 159.1
[M+H-H2O]+ 231.09222 145.0
[M+HCOO]- 293.09316 175.3
[M+CH3COO]- 307.10881 166.1
[M+Na-2H]- 269.06963 159.8
[M]+ 248.09441 156.3
[M]- 248.09551 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.