CID 4222

Mmp-2/mmp-9inhibitori

Structural Information

Molecular Formula
C21H19NO4S
SMILES
C1=CC=C(C=C1)CC(C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)C3=CC=CC=C3
InChI
InChI=1S/C21H19NO4S/c23-21(24)20(15-16-7-3-1-4-8-16)22-27(25,26)19-13-11-18(12-14-19)17-9-5-2-6-10-17/h1-14,20,22H,15H2,(H,23,24)
InChIKey
JBYHBQIDTNHWJF-UHFFFAOYSA-N
Compound name
3-phenyl-2-[(4-phenylphenyl)sulfonylamino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

16893
References

11
Patents

381.1035 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.11078 186.3
[M+Na]+ 404.09272 198.7
[M+NH4]+ 399.13732 192.8
[M+K]+ 420.06666 190.6
[M-H]- 380.09622 191.2
[M+Na-2H]- 402.07817 196.1
[M]+ 381.10295 189.9
[M]- 381.10405 189.9
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