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 161.6
[M+Na]+ 298.11620 165.9
[M-H]- 274.11970 167.5
[M+NH4]+ 293.16080 175.8
[M+K]+ 314.09014 164.1
[M+H-H2O]+ 258.12424 152.0
[M+HCOO]- 320.12518 185.4
[M+CH3COO]- 334.14083 202.4
[M+Na-2H]- 296.10165 167.3
[M]+ 275.12643 161.1
[M]- 275.12753 161.1
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.