CID 5156496

16442-58-3

Structural Information

Molecular Formula

C₁₅H₁₄N₂O

SMILES

C1C(NC2=CC=CC=C2NC1=O)C3=CC=CC=C3

InChI

InChI=1S/C15H14N2O/c18-15-10-14(11-6-2-1-3-7-11)16-12-8-4-5-9-13(12)17-15/h1-9,14,16H,10H2,(H,17,18)

InChIKey

BPBSKHLEGJWMBO-UHFFFAOYSA-N

Compound name

2-phenyl-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 238.11061 Da
Monoisotopic Mass: 2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	239.11789	154.9
[M+Na]+	261.09983	167.1
[M+NH4]+	256.14443	162.4
[M+K]+	277.07377	161.0
[M-H]-	237.10333	157.8
[M+Na-2H]-	259.08528	162.3
[M]+	238.11006	157.5
[M]-	238.11116	157.5

Literature stripe

literature stripe

Patent stripe

patents stripe