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-bromo-4-pyridinyl)sulfonylamino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

365.0045 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.011776 162.3
[M+Na]+ 387.993718 171.0
[M-H]- 363.997224 166.3
[M+NH4]+ 383.038323 176.6
[M+K]+ 403.967658 158.8
[M+H-H2O]+ 348.001760 159.8
[M+HCOO]- 410.002701 176.5
[M+CH3COO]- 424.018351 210.1
[M+Na-2H]- 385.979166 166.5
[M]+ 365.00395142 183.1
[M]- 365.00504858 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