CID 212319

24132-23-8

Structural Information

Molecular Formula
C14H16N2O3
SMILES
C1CCN(CC1)C(=O)C2C(=O)NC3=CC=CC=C3O2
InChI
InChI=1S/C14H16N2O3/c17-13-12(14(18)16-8-4-1-5-9-16)19-11-7-3-2-6-10(11)15-13/h2-3,6-7,12H,1,4-5,8-9H2,(H,15,17)
InChIKey
PXLVMVNPQMXQJC-UHFFFAOYSA-N
Compound name
2-(piperidine-1-carbonyl)-4H-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.1161 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.123376 159.1
[M+Na]+ 283.105318 163.7
[M-H]- 259.108824 161.9
[M+NH4]+ 278.149923 171.3
[M+K]+ 299.079258 160.8
[M+H-H2O]+ 243.113360 150.0
[M+HCOO]- 305.114301 170.9
[M+CH3COO]- 319.129951 168.4
[M+Na-2H]- 281.090766 162.9
[M]+ 260.11555142 152.5
[M]- 260.11664858 152.5
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.