CID 9841560

5-bdbd

Structural Information

Molecular Formula
C17H11BrN2O2
SMILES
C1C(=O)NC2=C(C(=N1)C3=CC(=CC=C3)Br)OC4=CC=CC=C42
InChI
InChI=1S/C17H11BrN2O2/c18-11-5-3-4-10(8-11)15-17-16(20-14(21)9-19-15)12-6-1-2-7-13(12)22-17/h1-8H,9H2,(H,20,21)
InChIKey
NKYMVQPXXTZHSF-UHFFFAOYSA-N
Compound name
5-(3-bromophenyl)-1,3-dihydro-[1]benzofuro[3,2-e][1,4]diazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

28
References

124
Patents

354.0004 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.00768 172.8
[M+Na]+ 376.98962 178.0
[M+NH4]+ 372.03422 177.0
[M+K]+ 392.96356 178.7
[M-H]- 352.99312 175.6
[M+Na-2H]- 374.97507 176.2
[M]+ 353.99985 173.5
[M]- 354.00095 173.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe