CID 139026810

Propyl 2-amino-3-(2-bromopyridine-4-sulfonamido)propanoate

Structural Information

Molecular Formula
C11H16BrN3O4S
SMILES
CCCOC(=O)C(CNS(=O)(=O)C1=CC(=NC=C1)Br)N
InChI
InChI=1S/C11H16BrN3O4S/c1-2-5-19-11(16)9(13)7-15-20(17,18)8-3-4-14-10(12)6-8/h3-4,6,9,15H,2,5,7,13H2,1H3
InChIKey
HVVOFSCXXCBFDB-UHFFFAOYSA-N
Compound name
propyl 2-amino-3-[(2-bromopyridin-4-yl)sulfonylamino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

365.0045 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.01178 162.3
[M+Na]+ 387.99372 171.0
[M-H]- 363.99722 166.3
[M+NH4]+ 383.03832 176.6
[M+K]+ 403.96766 158.8
[M+H-H2O]+ 348.00176 159.8
[M+HCOO]- 410.00270 176.5
[M+CH3COO]- 424.01835 210.1
[M+Na-2H]- 385.97917 166.5
[M]+ 365.00395 183.1
[M]- 365.00505 183.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe