CID 4369

N-hydroxy-2-[4-(4-phenoxy-benzenesulfonyl)-tetrahydro-pyran-4-yl]-acetamide

Structural Information

Molecular Formula
C19H21NO6S
SMILES
C1COCCC1(CC(=O)NO)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC=C3
InChI
InChI=1S/C19H21NO6S/c21-18(20-22)14-19(10-12-25-13-11-19)27(23,24)17-8-6-16(7-9-17)26-15-4-2-1-3-5-15/h1-9,22H,10-14H2,(H,20,21)
InChIKey
ARIRIZBKMKMEBD-UHFFFAOYSA-N
Compound name
N-hydroxy-2-[4-(4-phenoxyphenyl)sulfonyloxan-4-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

20
Patents

391.10895 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.11623 187.9
[M+Na]+ 414.09817 191.3
[M-H]- 390.10167 195.6
[M+NH4]+ 409.14277 197.9
[M+K]+ 430.07211 189.2
[M+H-H2O]+ 374.10621 179.6
[M+HCOO]- 436.10715 200.6
[M+CH3COO]- 450.12280 212.4
[M+Na-2H]- 412.08362 192.9
[M]+ 391.10840 188.2
[M]- 391.10950 188.2
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