CID 119888

N-[3-acetyl-4-(oxiranylmethoxy)phenyl]butyramide

Structural Information

Molecular Formula
C15H19NO4
SMILES
CCCC(=O)NC1=CC(=C(C=C1)OCC2CO2)C(=O)C
InChI
InChI=1S/C15H19NO4/c1-3-4-15(18)16-11-5-6-14(13(7-11)10(2)17)20-9-12-8-19-12/h5-7,12H,3-4,8-9H2,1-2H3,(H,16,18)
InChIKey
MFGKLROXINRXIU-UHFFFAOYSA-N
Compound name
N-[3-acetyl-4-(oxiran-2-ylmethoxy)phenyl]butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

277.1314 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.13868 162.4
[M+Na]+ 300.12062 170.1
[M-H]- 276.12412 170.5
[M+NH4]+ 295.16522 172.4
[M+K]+ 316.09456 168.2
[M+H-H2O]+ 260.12866 154.8
[M+HCOO]- 322.12960 184.7
[M+CH3COO]- 336.14525 205.1
[M+Na-2H]- 298.10607 165.6
[M]+ 277.13085 169.4
[M]- 277.13195 169.4
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

patents stripe