CID 6510166

3-methoxy-3-methyl-2-pentanone o-(((4-fluorophenyl)amino)carbonyl)oxime

Structural Information

Molecular Formula
C14H19FN2O3
SMILES
CCC(C)(/C(=N\OC(=O)NC1=CC=C(C=C1)F)/C)OC
InChI
InChI=1S/C14H19FN2O3/c1-5-14(3,19-4)10(2)17-20-13(18)16-12-8-6-11(15)7-9-12/h6-9H,5H2,1-4H3,(H,16,18)/b17-10-
InChIKey
WNAKPBPAAKQXKA-YVLHZVERSA-N
Compound name
[(Z)-(3-methoxy-3-methylpentan-2-ylidene)amino] N-(4-fluorophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.13797 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.14525 164.8
[M+Na]+ 305.12719 170.2
[M-H]- 281.13069 168.2
[M+NH4]+ 300.17179 180.8
[M+K]+ 321.10113 169.4
[M+H-H2O]+ 265.13523 156.7
[M+HCOO]- 327.13617 187.7
[M+CH3COO]- 341.15182 207.1
[M+Na-2H]- 303.11264 168.5
[M]+ 282.13742 167.0
[M]- 282.13852 167.0
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.