CID 6510171

1-(1-methoxycyclohexyl)ethanone o-(((4-chlorophenyl)amino)carbonyl)oxime

Structural Information

Molecular Formula
C16H21ClN2O3
SMILES
C/C(=N/OC(=O)NC1=CC=C(C=C1)Cl)/C2(CCCCC2)OC
InChI
InChI=1S/C16H21ClN2O3/c1-12(16(21-2)10-4-3-5-11-16)19-22-15(20)18-14-8-6-13(17)7-9-14/h6-9H,3-5,10-11H2,1-2H3,(H,18,20)/b19-12-
InChIKey
ZVDGCJXHSHMZHS-UNOMPAQXSA-N
Compound name
[(Z)-1-(1-methoxycyclohexyl)ethylideneamino] N-(4-chlorophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.12408 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.13136 174.6
[M+Na]+ 347.11330 178.7
[M-H]- 323.11680 181.4
[M+NH4]+ 342.15790 191.1
[M+K]+ 363.08724 175.8
[M+H-H2O]+ 307.12134 167.6
[M+HCOO]- 369.12228 192.2
[M+CH3COO]- 383.13793 210.1
[M+Na-2H]- 345.09875 177.5
[M]+ 324.12353 175.0
[M]- 324.12463 175.0
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.