CID 126970898

1h-pyrrolo[2,3-b]pyridine-3-sulfonamide

Structural Information

Molecular Formula
C7H7N3O2S
SMILES
C1=CC2=C(NC=C2S(=O)(=O)N)N=C1
InChI
InChI=1S/C7H7N3O2S/c8-13(11,12)6-4-10-7-5(6)2-1-3-9-7/h1-4H,(H,9,10)(H2,8,11,12)
InChIKey
CRCJDFHNLVCJEJ-UHFFFAOYSA-N
Compound name
1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

197.0259 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.03318 137.8
[M+Na]+ 220.01512 149.4
[M-H]- 196.01862 139.2
[M+NH4]+ 215.05972 157.0
[M+K]+ 235.98906 145.0
[M+H-H2O]+ 180.02316 132.2
[M+HCOO]- 242.02410 155.5
[M+CH3COO]- 256.03975 177.3
[M+Na-2H]- 218.00057 144.6
[M]+ 197.02535 139.2
[M]- 197.02645 139.2
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