CID 53567

Butyric acid, 4-(2-phenoxynicotinamido)-

Structural Information

Molecular Formula
C16H16N2O4
SMILES
C1=CC=C(C=C1)OC2=C(C=CC=N2)C(=O)NCCCC(=O)O
InChI
InChI=1S/C16H16N2O4/c19-14(20)9-5-10-17-15(21)13-8-4-11-18-16(13)22-12-6-2-1-3-7-12/h1-4,6-8,11H,5,9-10H2,(H,17,21)(H,19,20)
InChIKey
UUEFPAVJPHHQCG-UHFFFAOYSA-N
Compound name
4-[(2-phenoxypyridine-3-carbonyl)amino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.111 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.118276 168.0
[M+Na]+ 323.100218 172.9
[M-H]- 299.103724 171.6
[M+NH4]+ 318.144823 179.9
[M+K]+ 339.074158 169.7
[M+H-H2O]+ 283.108260 158.8
[M+HCOO]- 345.109201 189.1
[M+CH3COO]- 359.124851 202.0
[M+Na-2H]- 321.085666 172.1
[M]+ 300.11045142 169.0
[M]- 300.11154858 169.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.