CID 45791964

1193387-93-7

Structural Information

Molecular Formula
C9H9N3O4S
SMILES
C1=CC2=C(NC=C2S(=O)(=O)NCC(=O)O)N=C1
InChI
InChI=1S/C9H9N3O4S/c13-8(14)5-12-17(15,16)7-4-11-9-6(7)2-1-3-10-9/h1-4,12H,5H2,(H,10,11)(H,13,14)
InChIKey
VSMPKSJYUUOUMX-UHFFFAOYSA-N
Compound name
2-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonylamino)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.03137 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.03865 151.7
[M+Na]+ 278.02059 161.2
[M-H]- 254.02409 151.9
[M+NH4]+ 273.06519 167.6
[M+K]+ 293.99453 157.0
[M+H-H2O]+ 238.02863 145.8
[M+HCOO]- 300.02957 167.4
[M+CH3COO]- 314.04522 186.0
[M+Na-2H]- 276.00604 157.6
[M]+ 255.03082 154.4
[M]- 255.03192 154.4
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

No patent data available for this compound.