CID 3345949

351003-09-3

Structural Information

Molecular Formula
C15H11FN2O2
SMILES
C1C(=NC2=CC=CC=C2NC1=O)C3=C(C=CC(=C3)F)O
InChI
InChI=1S/C15H11FN2O2/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
ZFMHDLXJLIJMEW-UHFFFAOYSA-N
Compound name
4-(5-fluoro-2-hydroxyphenyl)-1,3-dihydro-1,5-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

270.08044 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.08772 157.9
[M+Na]+ 293.06966 170.1
[M+NH4]+ 288.11426 164.1
[M+K]+ 309.04360 164.9
[M-H]- 269.07316 159.2
[M+Na-2H]- 291.05511 164.5
[M]+ 270.07989 159.9
[M]- 270.08099 159.9
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