CID 6510172

3-methoxy-3-propyl-2-hexanone o-(((4-chlorophenyl)amino)carbonyl)oxime

Structural Information

Molecular Formula
C17H25ClN2O3
SMILES
CCCC(CCC)(/C(=N\OC(=O)NC1=CC=C(C=C1)Cl)/C)OC
InChI
InChI=1S/C17H25ClN2O3/c1-5-11-17(22-4,12-6-2)13(3)20-23-16(21)19-15-9-7-14(18)8-10-15/h7-10H,5-6,11-12H2,1-4H3,(H,19,21)/b20-13-
InChIKey
FQDZZJKQBDNHSC-MOSHPQCFSA-N
Compound name
[(Z)-(3-methoxy-3-propylhexan-2-ylidene)amino] N-(4-chlorophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.15536 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.16264 182.7
[M+Na]+ 363.14458 187.6
[M-H]- 339.14808 186.9
[M+NH4]+ 358.18918 197.4
[M+K]+ 379.11852 184.5
[M+H-H2O]+ 323.15262 175.9
[M+HCOO]- 385.15356 201.2
[M+CH3COO]- 399.16921 217.0
[M+Na-2H]- 361.13003 185.0
[M]+ 340.15481 189.4
[M]- 340.15591 189.4
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.