CID 9588822

Brn 5822371

Structural Information

Molecular Formula
C14H17N3O3
SMILES
CO/N=C/C1=CCCN(C1)OC(=O)NC2=CC=CC=C2
InChI
InChI=1S/C14H17N3O3/c1-19-15-10-12-6-5-9-17(11-12)20-14(18)16-13-7-3-2-4-8-13/h2-4,6-8,10H,5,9,11H2,1H3,(H,16,18)/b15-10+
InChIKey
CQVOSJLMOBKBLR-XNTDXEJSSA-N
Compound name
[5-[(E)-methoxyiminomethyl]-3,6-dihydro-2H-pyridin-1-yl] N-phenylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.12698 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.13426 163.4
[M+Na]+ 298.11620 173.9
[M+NH4]+ 293.16080 170.0
[M+K]+ 314.09014 167.7
[M-H]- 274.11970 167.0
[M+Na-2H]- 296.10165 170.6
[M]+ 275.12643 165.5
[M]- 275.12753 165.5
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.