CID 9588823

Brn 5826284

Structural Information

Molecular Formula
C14H16ClN3O3
SMILES
CO/N=C/C1=CCCN(C1)OC(=O)NC2=CC(=CC=C2)Cl
InChI
InChI=1S/C14H16ClN3O3/c1-20-16-9-11-4-3-7-18(10-11)21-14(19)17-13-6-2-5-12(15)8-13/h2,4-6,8-9H,3,7,10H2,1H3,(H,17,19)/b16-9+
InChIKey
JGKSPFKMOCFKLX-CXUHLZMHSA-N
Compound name
[5-[(E)-methoxyiminomethyl]-3,6-dihydro-2H-pyridin-1-yl] N-(3-chlorophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.088 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.09528 168.7
[M+Na]+ 332.07722 174.7
[M-H]- 308.08072 174.7
[M+NH4]+ 327.12182 182.7
[M+K]+ 348.05116 171.2
[M+H-H2O]+ 292.08526 160.0
[M+HCOO]- 354.08620 187.9
[M+CH3COO]- 368.10185 207.2
[M+Na-2H]- 330.06267 173.1
[M]+ 309.08745 170.8
[M]- 309.08855 170.8
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.