CID 9821883

Chembl85030

Structural Information

Molecular Formula
C19H24N2O5S
SMILES
CC(C)[C@H](C(=O)NO)N(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)OC
InChI
InChI=1S/C19H24N2O5S/c1-14(2)18(19(22)20-23)21(13-15-7-5-4-6-8-15)27(24,25)17-11-9-16(26-3)10-12-17/h4-12,14,18,23H,13H2,1-3H3,(H,20,22)/t18-/m1/s1
InChIKey
ZGSTVUAZFACDLH-GOSISDBHSA-N
Compound name
(2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

19
Patents

392.1406 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.14788 190.5
[M+Na]+ 415.12982 193.0
[M-H]- 391.13332 196.2
[M+NH4]+ 410.17442 200.5
[M+K]+ 431.10376 191.1
[M+H-H2O]+ 375.13786 181.7
[M+HCOO]- 437.13880 205.8
[M+CH3COO]- 451.15445 223.1
[M+Na-2H]- 413.11527 191.0
[M]+ 392.14005 194.3
[M]- 392.14115 194.3
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