CID 16129579

(2r)-2-amino-3,3,3-trifluoro-n-hydroxy-2-{[(4-phenoxyphenyl)sulfonyl]methyl}propanamide

Structural Information

Molecular Formula
C16H15F3N2O5S
SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)S(=O)(=O)C[C@@](C(=O)NO)(C(F)(F)F)N
InChI
InChI=1S/C16H15F3N2O5S/c17-16(18,19)15(20,14(22)21-23)10-27(24,25)13-8-6-12(7-9-13)26-11-4-2-1-3-5-11/h1-9,23H,10,20H2,(H,21,22)/t15-/m1/s1
InChIKey
MKRPIBSCGZAUCH-OAHLLOKOSA-N
Compound name
(2R)-2-amino-3,3,3-trifluoro-N-hydroxy-2-[(4-phenoxyphenyl)sulfonylmethyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

404.06537 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.07265 184.7
[M+Na]+ 427.05459 189.8
[M-H]- 403.05809 185.1
[M+NH4]+ 422.09919 193.5
[M+K]+ 443.02853 185.5
[M+H-H2O]+ 387.06263 174.5
[M+HCOO]- 449.06357 195.7
[M+CH3COO]- 463.07922 217.2
[M+Na-2H]- 425.04004 189.3
[M]+ 404.06482 181.8
[M]- 404.06592 181.8
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