CID 9588826

Brn 5827235

Structural Information

Molecular Formula
C14H15Cl2N3O3
SMILES
CO/N=C/C1=CCCN(C1)OC(=O)NC2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C14H15Cl2N3O3/c1-21-17-8-10-3-2-6-19(9-10)22-14(20)18-11-4-5-12(15)13(16)7-11/h3-5,7-8H,2,6,9H2,1H3,(H,18,20)/b17-8+
InChIKey
QHWMBQIDSUDHHK-CAOOACKPSA-N
Compound name
[5-[(E)-methoxyiminomethyl]-3,6-dihydro-2H-pyridin-1-yl] N-(3,4-dichlorophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.04904 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.05632 174.9
[M+Na]+ 366.03826 182.2
[M-H]- 342.04176 180.6
[M+NH4]+ 361.08286 188.4
[M+K]+ 382.01220 177.6
[M+H-H2O]+ 326.04630 167.2
[M+HCOO]- 388.04724 189.0
[M+CH3COO]- 402.06289 212.6
[M+Na-2H]- 364.02371 177.8
[M]+ 343.04849 178.7
[M]- 343.04959 178.7
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.