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]+ 341.18596 183.5
[M+Na]+ 363.16790 187.4
[M-H]- 339.17140 189.5
[M+NH4]+ 358.21250 196.1
[M+K]+ 379.14184 183.9
[M+H-H2O]+ 323.17594 174.3
[M+HCOO]- 385.17688 206.9
[M+CH3COO]- 399.19253 216.6
[M+Na-2H]- 361.15335 185.3
[M]+ 340.17813 185.3
[M]- 340.17923 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.