CID 16226739

2-(piperidine-1-carbonyl)-3,4-dihydro-2h-1,4-benzoxazine

Structural Information

Molecular Formula
C14H18N2O2
SMILES
C1CCN(CC1)C(=O)C2CNC3=CC=CC=C3O2
InChI
InChI=1S/C14H18N2O2/c17-14(16-8-4-1-5-9-16)13-10-15-11-6-2-3-7-12(11)18-13/h2-3,6-7,13,15H,1,4-5,8-10H2
InChIKey
OAQWVCPONCDVHR-UHFFFAOYSA-N
Compound name
3,4-dihydro-2H-1,4-benzoxazin-2-yl(piperidin-1-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.13683 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.14411 156.9
[M+Na]+ 269.12605 160.3
[M-H]- 245.12955 159.2
[M+NH4]+ 264.17065 169.5
[M+K]+ 285.09999 157.4
[M+H-H2O]+ 229.13409 147.6
[M+HCOO]- 291.13503 168.3
[M+CH3COO]- 305.15068 165.9
[M+Na-2H]- 267.11150 161.3
[M]+ 246.13628 149.1
[M]- 246.13738 149.1
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.