CID 374038

3-formylaminobenzamide

Structural Information

Molecular Formula

C₈H₈N₂O₂

SMILES

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

InChI

InChI=1S/C8H8N2O2/c9-8(12)6-2-1-3-7(4-6)10-5-11/h1-5H,(H2,9,12)(H,10,11)

InChIKey

WXYAXNJJSMYZGM-UHFFFAOYSA-N

Compound name

3-formamidobenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 164.05858 Da
Monoisotopic Mass: 0.0
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]+	165.06586	131.6
[M+Na]+	187.04780	138.9
[M-H]-	163.05130	135.2
[M+NH4]+	182.09240	151.3
[M+K]+	203.02174	137.1
[M+H-H2O]+	147.05584	125.4
[M+HCOO]-	209.05678	157.8
[M+CH3COO]-	223.07243	181.8
[M+Na-2H]-	185.03325	137.9
[M]+	164.05803	129.8
[M]-	164.05913	129.8

Literature stripe

literature stripe

Patent stripe

patents stripe