CID 2824989

120337-35-1

Structural Information

Molecular Formula

C₁₂H₁₆N₂O

SMILES

CC1CN(C2=CC=CC=C2N(C1=O)C)C

InChI

InChI=1S/C12H16N2O/c1-9-8-13(2)10-6-4-5-7-11(10)14(3)12(9)15/h4-7,9H,8H2,1-3H3

InChIKey

SANQWJYRNLJHJX-UHFFFAOYSA-N

Compound name

1,3,5-trimethyl-2,3-dihydro-1,5-benzodiazepin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 204.12627 Da
Monoisotopic Mass: 1.7
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]+	205.133546	141.6
[M+Na]+	227.115488	149.8
[M-H]-	203.118994	145.1
[M+NH4]+	222.160093	158.8
[M+K]+	243.089428	150.9
[M+H-H2O]+	187.123530	134.8
[M+HCOO]-	249.124471	159.5
[M+CH3COO]-	263.140121	190.9
[M+Na-2H]-	225.100936	146.5
[M]+	204.12572142	138.9
[M]-	204.12681858	138.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe