CID 5274885

1086-63-1

Structural Information

Molecular Formula

C₁₄H₁₄N₂O₂

SMILES

CC1=CC=C(C=C1)CNC(=O)C2=C(C=CC=N2)O

InChI

InChI=1S/C14H14N2O2/c1-10-4-6-11(7-5-10)9-16-14(18)13-12(17)3-2-8-15-13/h2-8,17H,9H2,1H3,(H,16,18)

InChIKey

VACCZOICDMQDFM-UHFFFAOYSA-N

Compound name

3-hydroxy-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 13
Patents: 242.10553 Da
Monoisotopic Mass: 2.9
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]+	243.11281	154.4
[M+Na]+	265.09475	161.5
[M-H]-	241.09825	158.7
[M+NH4]+	260.13935	169.4
[M+K]+	281.06869	157.5
[M+H-H2O]+	225.10279	146.2
[M+HCOO]-	287.10373	176.6
[M+CH3COO]-	301.11938	192.8
[M+Na-2H]-	263.08020	159.8
[M]+	242.10498	153.6
[M]-	242.10608	153.6

Literature stripe

literature stripe

Patent stripe

patents stripe