CID 6510164

2-pentanone, 3-methoxy-3-methyl-, o-((phenylamino)carbonyl)oxime

Structural Information

Molecular Formula
C14H20N2O3
SMILES
CCC(C)(/C(=N\OC(=O)NC1=CC=CC=C1)/C)OC
InChI
InChI=1S/C14H20N2O3/c1-5-14(3,18-4)11(2)16-19-13(17)15-12-9-7-6-8-10-12/h6-10H,5H2,1-4H3,(H,15,17)/b16-11-
InChIKey
BWLQNODHAYARNZ-WJDWOHSUSA-N
Compound name
[(Z)-(3-methoxy-3-methylpentan-2-ylidene)amino] N-phenylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.1474 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.154676 162.4
[M+Na]+ 287.136618 166.9
[M-H]- 263.140124 166.9
[M+NH4]+ 282.181223 178.9
[M+K]+ 303.110558 166.5
[M+H-H2O]+ 247.144660 155.1
[M+HCOO]- 309.145601 186.4
[M+CH3COO]- 323.161251 203.2
[M+Na-2H]- 285.122066 167.4
[M]+ 264.14685142 165.4
[M]- 264.14794858 165.4
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.