CID 466151

Prinomastat

Structural Information

Molecular Formula
C18H21N3O5S2
SMILES
CC1([C@@H](N(CCS1)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=NC=C3)C(=O)NO)C
InChI
InChI=1S/C18H21N3O5S2/c1-18(2)16(17(22)20-23)21(11-12-27-18)28(24,25)15-5-3-13(4-6-15)26-14-7-9-19-10-8-14/h3-10,16,23H,11-12H2,1-2H3,(H,20,22)/t16-/m0/s1
InChIKey
YKPYIPVDTNNYCN-INIZCTEOSA-N
Compound name
(3S)-N-hydroxy-2,2-dimethyl-4-(4-pyridin-4-yloxyphenyl)sulfonylthiomorpholine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

105
References

10634
Patents

423.09225 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.09953 189.5
[M+Na]+ 446.08147 199.2
[M+NH4]+ 441.12607 195.7
[M+K]+ 462.05541 190.0
[M-H]- 422.08497 192.0
[M+Na-2H]- 444.06692 197.6
[M]+ 423.09170 192.4
[M]- 423.09280 192.4
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