CID 217978

Scs 30

Structural Information

Molecular Formula

C₁₂H₁₆N₂O₂

SMILES

CC(C)(C)NC(=O)NC(=O)C1=CC=CC=C1

InChI

InChI=1S/C12H16N2O2/c1-12(2,3)14-11(16)13-10(15)9-7-5-4-6-8-9/h4-8H,1-3H3,(H2,13,14,15,16)

InChIKey

BXTSGDPNLDJHMK-UHFFFAOYSA-N

Compound name

N-(tert-butylcarbamoyl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 220.12119 Da
Monoisotopic Mass: 2.5
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]+	221.12847	150.9
[M+Na]+	243.11041	156.0
[M-H]-	219.11391	154.4
[M+NH4]+	238.15501	168.6
[M+K]+	259.08435	154.6
[M+H-H2O]+	203.11845	144.5
[M+HCOO]-	265.11939	173.8
[M+CH3COO]-	279.13504	191.8
[M+Na-2H]-	241.09586	156.3
[M]+	220.12064	149.7
[M]-	220.12174	149.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe