CID 139022508

2-amino-3-(2-bromopyridine-4-sulfonamido)propanoic acid dihydrobromide

Structural Information

Molecular Formula
C8H10BrN3O4S
SMILES
C1=CN=C(C=C1S(=O)(=O)NCC(C(=O)O)N)Br
InChI
InChI=1S/C8H10BrN3O4S/c9-7-3-5(1-2-11-7)17(15,16)12-4-6(10)8(13)14/h1-3,6,12H,4,10H2,(H,13,14)
InChIKey
BIGRWEZIPQRHKV-UHFFFAOYSA-N
Compound name
2-amino-3-[(2-bromopyridin-4-yl)sulfonylamino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

322.95755 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.96483 149.4
[M+Na]+ 345.94677 158.8
[M-H]- 321.95027 152.5
[M+NH4]+ 340.99137 164.5
[M+K]+ 361.92071 146.4
[M+H-H2O]+ 305.95481 147.5
[M+HCOO]- 367.95575 163.1
[M+CH3COO]- 381.97140 200.2
[M+Na-2H]- 343.93222 154.5
[M]+ 322.95700 167.5
[M]- 322.95810 167.5
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