CID 3059117

(1s)-4,5-dihydro-1-phenyl-1,4-epoxy-1h,3h-(1,4)oxazepino(4,3-a)benzimidazole

Structural Information

Molecular Formula
C17H14N2O2
SMILES
C1C2CO[C@@](O2)(C3=NC4=CC=CC=C4N31)C5=CC=CC=C5
InChI
InChI=1S/C17H14N2O2/c1-2-6-12(7-3-1)17-16-18-14-8-4-5-9-15(14)19(16)10-13(21-17)11-20-17/h1-9,13H,10-11H2/t13?,17-/m0/s1
InChIKey
LCXASZQUGJCXBG-RUINGEJQSA-N
Compound name
(1S)-1-phenyl-14,15-dioxa-3,10-diazatetracyclo[10.2.1.02,10.04,9]pentadeca-2,4,6,8-tetraene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

278.10553 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.11281 160.8
[M+Na]+ 301.09475 176.5
[M+NH4]+ 296.13935 172.6
[M+K]+ 317.06869 170.4
[M-H]- 277.09825 167.3
[M+Na-2H]- 299.08020 167.1
[M]+ 278.10498 165.4
[M]- 278.10608 165.4
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.