CID 135599023

2-(n-((anilinocarbonyl)oxy)hexanimidoyl)-1-hydroxy-4-methylbenzene

Structural Information

Molecular Formula
C20H24N2O3
SMILES
CCCCC/C(=N\OC(=O)NC1=CC=CC=C1)/C2=C(C=CC(=C2)C)O
InChI
InChI=1S/C20H24N2O3/c1-3-4-6-11-18(17-14-15(2)12-13-19(17)23)22-25-20(24)21-16-9-7-5-8-10-16/h5,7-10,12-14,23H,3-4,6,11H2,1-2H3,(H,21,24)/b22-18+
InChIKey
MKQNSTGKLDXAMG-RELWKKBWSA-N
Compound name
[(E)-1-(2-hydroxy-5-methylphenyl)hexylideneamino] N-phenylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.17868 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.185956 183.5
[M+Na]+ 363.167898 187.4
[M-H]- 339.171404 189.5
[M+NH4]+ 358.212503 196.1
[M+K]+ 379.141838 183.9
[M+H-H2O]+ 323.175940 174.3
[M+HCOO]- 385.176881 206.9
[M+CH3COO]- 399.192531 216.6
[M+Na-2H]- 361.153346 185.3
[M]+ 340.17813142 185.3
[M]- 340.17922858 185.3
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.