CID 3046353

Brn 1083906

Structural Information

Molecular Formula
C16H14N2O2
SMILES
C1C(OC2=NC3=CC=CC=C3N21)COC4=CC=CC=C4
InChI
InChI=1S/C16H14N2O2/c1-2-6-12(7-3-1)19-11-13-10-18-15-9-5-4-8-14(15)17-16(18)20-13/h1-9,13H,10-11H2
InChIKey
NYUSDMBONIRLRO-UHFFFAOYSA-N
Compound name
2-(phenoxymethyl)-1,2-dihydro-[1,3]oxazolo[3,2-a]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

266.10553 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.11281 157.1
[M+Na]+ 289.09475 167.3
[M-H]- 265.09825 164.4
[M+NH4]+ 284.13935 175.1
[M+K]+ 305.06869 163.8
[M+H-H2O]+ 249.10279 149.2
[M+HCOO]- 311.10373 178.8
[M+CH3COO]- 325.11938 170.3
[M+Na-2H]- 287.08020 163.0
[M]+ 266.10498 161.2
[M]- 266.10608 161.2
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

patents stripe