CID 100631

62537-60-4

Structural Information

Molecular Formula

C₁₁H₁₃N₃O

SMILES

CN(C)C1=NC2=CC=CC=C2NC(=O)C1

InChI

InChI=1S/C11H13N3O/c1-14(2)10-7-11(15)13-9-6-4-3-5-8(9)12-10/h3-6H,7H2,1-2H3,(H,13,15)

InChIKey

SZOFIRPATPUCFF-UHFFFAOYSA-N

Compound name

4-(dimethylamino)-1,3-dihydro-1,5-benzodiazepin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 203.10587 Da
Monoisotopic Mass: 0.4
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]+	204.11315	141.5
[M+Na]+	226.09509	148.4
[M-H]-	202.09859	144.9
[M+NH4]+	221.13969	157.9
[M+K]+	242.06903	150.2
[M+H-H2O]+	186.10313	134.0
[M+HCOO]-	248.10407	161.2
[M+CH3COO]-	262.11972	190.3
[M+Na-2H]-	224.08054	148.5
[M]+	203.10532	137.7
[M]-	203.10642	137.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe