CID 3050354

Brn 1463876

Structural Information

Molecular Formula

C₁₂H₁₄N₂O₂

SMILES

CNC(=O)N1CC2=CC=CC=C2CCC1=O

InChI

InChI=1S/C12H14N2O2/c1-13-12(16)14-8-10-5-3-2-4-9(10)6-7-11(14)15/h2-5H,6-8H2,1H3,(H,13,16)

InChIKey

YAQRYOIJMHIUCO-UHFFFAOYSA-N

Compound name

N-methyl-3-oxo-4,5-dihydro-1H-2-benzazepine-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 218.10553 Da
Monoisotopic Mass: 1.3
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]+	219.112806	144.5
[M+Na]+	241.094748	150.0
[M-H]-	217.098254	148.8
[M+NH4]+	236.139353	161.5
[M+K]+	257.068688	152.0
[M+H-H2O]+	201.102790	138.2
[M+HCOO]-	263.103731	164.1
[M+CH3COO]-	277.119381	191.4
[M+Na-2H]-	239.080196	150.0
[M]+	218.10498142	139.8
[M]-	218.10607858	139.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe