CID 25158706

Pestalamide c

Structural Information

Molecular Formula
C15H16N2O3
SMILES
C1=CC=C(C=C1)CC2=CC(=O)C(=CN2CCO)C(=O)N
InChI
InChI=1S/C15H16N2O3/c16-15(20)13-10-17(6-7-18)12(9-14(13)19)8-11-4-2-1-3-5-11/h1-5,9-10,18H,6-8H2,(H2,16,20)
InChIKey
UDMZEYMXXKXZBY-UHFFFAOYSA-N
Compound name
6-benzyl-1-(2-hydroxyethyl)-4-oxopyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

272.1161 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.12338 161.6
[M+Na]+ 295.10532 169.3
[M-H]- 271.10882 165.6
[M+NH4]+ 290.14992 175.3
[M+K]+ 311.07926 164.8
[M+H-H2O]+ 255.11336 153.3
[M+HCOO]- 317.11430 183.2
[M+CH3COO]- 331.12995 198.6
[M+Na-2H]- 293.09077 164.7
[M]+ 272.11555 161.4
[M]- 272.11665 161.4
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.