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

23
Patents

197.0259 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.033176 137.8
[M+Na]+ 220.015118 149.4
[M-H]- 196.018624 139.2
[M+NH4]+ 215.059723 157.0
[M+K]+ 235.989058 145.0
[M+H-H2O]+ 180.023160 132.2
[M+HCOO]- 242.024101 155.5
[M+CH3COO]- 256.039751 177.3
[M+Na-2H]- 218.000566 144.6
[M]+ 197.02535142 139.2
[M]- 197.02644858 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