CID 4388801

4-(5-bromo-2-hydroxyphenyl)-1,3-dihydro-2h-1,5-benzodiazepin-2-one

Structural Information

Molecular Formula
C15H11BrN2O2
SMILES
C1C(=NC2=CC=CC=C2NC1=O)C3=C(C=CC(=C3)Br)O
InChI
InChI=1S/C15H11BrN2O2/c16-9-5-6-14(19)10(7-9)13-8-15(20)18-12-4-2-1-3-11(12)17-13/h1-7,19H,8H2,(H,18,20)
InChIKey
YBRVBCGGIDKHLD-UHFFFAOYSA-N
Compound name
4-(5-bromo-2-hydroxyphenyl)-1,3-dihydro-1,5-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

330.0004 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.00768 164.1
[M+Na]+ 352.98962 174.6
[M-H]- 328.99312 170.5
[M+NH4]+ 348.03422 178.3
[M+K]+ 368.96356 166.3
[M+H-H2O]+ 312.99766 163.0
[M+HCOO]- 374.99860 179.0
[M+CH3COO]- 389.01425 176.0
[M+Na-2H]- 350.97507 170.4
[M]+ 329.99985 177.0
[M]- 330.00095 177.0
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