CID 454835

Chembl367204

Structural Information

Molecular Formula
C16H16N2O3
SMILES
CC1=C(C=C(C(=O)N1)CCC2=NC3=CC=CC=C3O2)CO
InChI
InChI=1S/C16H16N2O3/c1-10-12(9-19)8-11(16(20)17-10)6-7-15-18-13-4-2-3-5-14(13)21-15/h2-5,8,19H,6-7,9H2,1H3,(H,17,20)
InChIKey
YXTBBWMFLQLECP-UHFFFAOYSA-N
Compound name
3-[2-(1,3-benzoxazol-2-yl)ethyl]-5-(hydroxymethyl)-6-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

284.1161 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.12338 164.3
[M+Na]+ 307.10532 175.4
[M-H]- 283.10882 168.6
[M+NH4]+ 302.14992 178.1
[M+K]+ 323.07926 170.3
[M+H-H2O]+ 267.11336 156.3
[M+HCOO]- 329.11430 184.1
[M+CH3COO]- 343.12995 176.3
[M+Na-2H]- 305.09077 169.3
[M]+ 284.11555 168.2
[M]- 284.11665 168.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.