CID 40146

Picobenzide

Structural Information

Molecular Formula

C₁₅H₁₆N₂O

SMILES

CC1=CC(=CC(=C1)C(=O)NCC2=CC=NC=C2)C

InChI

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

InChIKey

JROSDBYIFZWPBP-UHFFFAOYSA-N

Compound name

3,5-dimethyl-N-(pyridin-4-ylmethyl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 20
References: 37
Patents: 240.12627 Da
Monoisotopic Mass: 2.4
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]+	241.13355	156.2
[M+Na]+	263.11549	170.5
[M+NH4]+	258.16009	164.4
[M+K]+	279.08943	162.7
[M-H]-	239.11899	160.9
[M+Na-2H]-	261.10094	165.5
[M]+	240.12572	159.6
[M]-	240.12682	159.6

Literature stripe

literature stripe

Patent stripe

patents stripe