CID 50894

Diacetolol

Structural Information

Molecular Formula
C16H24N2O4
SMILES
CC(C)NCC(COC1=C(C=C(C=C1)NC(=O)C)C(=O)C)O
InChI
InChI=1S/C16H24N2O4/c1-10(2)17-8-14(21)9-22-16-6-5-13(18-12(4)20)7-15(16)11(3)19/h5-7,10,14,17,21H,8-9H2,1-4H3,(H,18,20)
InChIKey
AWOGXJOBNAWQSF-UHFFFAOYSA-N
Compound name
N-[3-acetyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

51
References

1241
Patents

308.1736 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.18088 174.6
[M+Na]+ 331.16282 181.4
[M+NH4]+ 326.20742 178.7
[M+K]+ 347.13676 178.5
[M-H]- 307.16632 174.2
[M+Na-2H]- 329.14827 176.2
[M]+ 308.17305 174.8
[M]- 308.17415 174.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe