CID 13086

Ameltolide

Structural Information

Molecular Formula

C₁₅H₁₆N₂O

SMILES

CC1=C(C(=CC=C1)C)NC(=O)C2=CC=C(C=C2)N

InChI

InChI=1S/C15H16N2O/c1-10-4-3-5-11(2)14(10)17-15(18)12-6-8-13(16)9-7-12/h3-9H,16H2,1-2H3,(H,17,18)

InChIKey

HZIWGOAXOBPQGY-UHFFFAOYSA-N

Compound name

4-amino-N-(2,6-dimethylphenyl)benzamide

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 30
References: 368
Patents: 240.12627 Da
Monoisotopic Mass: 2.2
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]+	241.133546	155.5
[M+Na]+	263.115488	162.9
[M-H]-	239.118994	162.3
[M+NH4]+	258.160093	172.5
[M+K]+	279.089428	158.8
[M+H-H2O]+	223.123530	148.0
[M+HCOO]-	285.124471	180.4
[M+CH3COO]-	299.140121	199.2
[M+Na-2H]-	261.100936	159.3
[M]+	240.12572142	153.7
[M]-	240.12681858	153.7

Literature stripe

literature stripe

Patent stripe

patents stripe