CID 6510169

1-(1-methoxycyclohexyl)ethanone o-((phenylamino)carbonyl)oxime

Structural Information

Molecular Formula
C16H22N2O3
SMILES
C/C(=N/OC(=O)NC1=CC=CC=C1)/C2(CCCCC2)OC
InChI
InChI=1S/C16H22N2O3/c1-13(16(20-2)11-7-4-8-12-16)18-21-15(19)17-14-9-5-3-6-10-14/h3,5-6,9-10H,4,7-8,11-12H2,1-2H3,(H,17,19)/b18-13-
InChIKey
PDMRBLGFJHVTIC-AQTBWJFISA-N
Compound name
[(Z)-1-(1-methoxycyclohexyl)ethylideneamino] N-phenylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.16306 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.17034 168.5
[M+Na]+ 313.15228 170.8
[M-H]- 289.15578 175.1
[M+NH4]+ 308.19688 185.1
[M+K]+ 329.12622 169.8
[M+H-H2O]+ 273.16032 160.3
[M+HCOO]- 335.16126 190.5
[M+CH3COO]- 349.17691 205.3
[M+Na-2H]- 311.13773 172.5
[M]+ 290.16251 166.1
[M]- 290.16361 166.1
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.