CID 39937

1,3-dihydro-7-chloro-3-hydroxy-1-(2-hydroxyethyl)-5-phenyl-2h-1,4-benzodiazepin-2-one

Structural Information

Molecular Formula
C17H15ClN2O3
SMILES
C1=CC=C(C=C1)C2=NC(C(=O)N(C3=C2C=C(C=C3)Cl)CCO)O
InChI
InChI=1S/C17H15ClN2O3/c18-12-6-7-14-13(10-12)15(11-4-2-1-3-5-11)19-16(22)17(23)20(14)8-9-21/h1-7,10,16,21-22H,8-9H2
InChIKey
ZPCPWNCFYGEMEO-UHFFFAOYSA-N
Compound name
7-chloro-3-hydroxy-1-(2-hydroxyethyl)-5-phenyl-3H-1,4-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

330.07712 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.08440 173.3
[M+Na]+ 353.06634 186.9
[M+NH4]+ 348.11094 179.7
[M+K]+ 369.04028 180.7
[M-H]- 329.06984 175.7
[M+Na-2H]- 351.05179 179.5
[M]+ 330.07657 176.2
[M]- 330.07767 176.2
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

No patent data available for this compound.