CID 2803432

Maybridge4_000433

Structural Information

Molecular Formula

C₂₅H₂₆N₂O₂

SMILES

CC1=C(C(=C(C(=C1C)C)C(=O)C2=CC=CC=C2C(=O)NCC3=CN=CC=C3)C)C

InChI

InChI=1S/C25H26N2O2/c1-15-16(2)18(4)23(19(5)17(15)3)24(28)21-10-6-7-11-22(21)25(29)27-14-20-9-8-12-26-13-20/h6-13H,14H2,1-5H3,(H,27,29)

InChIKey

YMBDFYCUSLLAPN-UHFFFAOYSA-N

Compound name

2-(2,3,4,5,6-pentamethylbenzoyl)-N-(pyridin-3-ylmethyl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 0
Patents: 386.19943 Da
Monoisotopic Mass: 4.8
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]+	387.206706	197.0
[M+Na]+	409.188648	204.4
[M-H]-	385.192154	205.9
[M+NH4]+	404.233253	207.1
[M+K]+	425.162588	198.6
[M+H-H2O]+	369.196690	186.4
[M+HCOO]-	431.197631	217.2
[M+CH3COO]-	445.213281	229.1
[M+Na-2H]-	407.174096	195.4
[M]+	386.19888142	199.4
[M]-	386.19997858	199.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.