CID 71521286

4-chloro-5-nitro-1-tosyl-1h-pyrrolo[2,3-b]pyridine

Structural Information

Molecular Formula
C14H10ClN3O4S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N2C=CC3=C(C(=CN=C32)[N+](=O)[O-])Cl
InChI
InChI=1S/C14H10ClN3O4S/c1-9-2-4-10(5-3-9)23(21,22)17-7-6-11-13(15)12(18(19)20)8-16-14(11)17/h2-8H,1H3
InChIKey
IUEDKJPOBOGQPE-UHFFFAOYSA-N
Compound name
4-chloro-1-(4-methylphenyl)sulfonyl-5-nitropyrrolo[2,3-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

351.00806 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.01534 172.1
[M+Na]+ 373.99728 188.1
[M+NH4]+ 369.04188 179.3
[M+K]+ 389.97122 183.9
[M-H]- 350.00078 175.7
[M+Na-2H]- 371.98273 179.5
[M]+ 351.00751 176.1
[M]- 351.00861 176.1
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