CID 205671

Brn 1139295

Structural Information

Molecular Formula
C14H18N2O3
SMILES
CCCCNC(=O)CN1CC2=CC=CC=C2OC1=O
InChI
InChI=1S/C14H18N2O3/c1-2-3-8-15-13(17)10-16-9-11-6-4-5-7-12(11)19-14(16)18/h4-7H,2-3,8-10H2,1H3,(H,15,17)
InChIKey
XJPZFOGQANQGQY-UHFFFAOYSA-N
Compound name
N-butyl-2-(2-oxo-4H-1,3-benzoxazin-3-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.13174 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.139016 160.3
[M+Na]+ 285.120958 166.1
[M-H]- 261.124464 163.3
[M+NH4]+ 280.165563 175.0
[M+K]+ 301.094898 164.3
[M+H-H2O]+ 245.129000 152.3
[M+HCOO]- 307.129941 178.9
[M+CH3COO]- 321.145591 199.2
[M+Na-2H]- 283.106406 165.7
[M]+ 262.13119142 161.2
[M]- 262.13228858 161.2
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.