CID 25229537

1-[(2-nitrophenyl)sulfonyl]-1h-pyrrolo[3,2-b]pyridine-6-carboxamide

Structural Information

Molecular Formula
C14H10N4O5S
SMILES
C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)N2C=CC3=C2C=C(C=N3)C(=O)N
InChI
InChI=1S/C14H10N4O5S/c15-14(19)9-7-12-10(16-8-9)5-6-17(12)24(22,23)13-4-2-1-3-11(13)18(20)21/h1-8H,(H2,15,19)
InChIKey
USLOIFPDNUDIEG-UHFFFAOYSA-N
Compound name
1-(2-nitrophenyl)sulfonylpyrrolo[3,2-b]pyridine-6-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

346.0372 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.04448 173.0
[M+Na]+ 369.02642 181.4
[M-H]- 345.02992 179.1
[M+NH4]+ 364.07102 184.9
[M+K]+ 385.00036 172.8
[M+H-H2O]+ 329.03446 169.6
[M+HCOO]- 391.03540 191.3
[M+CH3COO]- 405.05105 202.2
[M+Na-2H]- 367.01187 180.7
[M]+ 346.03665 174.5
[M]- 346.03775 174.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe