CID 74982394

Az513

Structural Information

Molecular Formula
C14H9Cl2N3O
SMILES
C1=CC(=C(C(=C1)Cl)Cl)C(=O)NC2=CN=C3C(=C2)C=CN3
InChI
InChI=1S/C14H9Cl2N3O/c15-11-3-1-2-10(12(11)16)14(20)19-9-6-8-4-5-17-13(8)18-7-9/h1-7H,(H,17,18)(H,19,20)
InChIKey
SIMLBFHHXAMGGM-UHFFFAOYSA-N
Compound name
2,3-dichloro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

305.01227 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.01955 164.4
[M+Na]+ 328.00149 175.8
[M-H]- 304.00499 168.2
[M+NH4]+ 323.04609 180.0
[M+K]+ 343.97543 167.8
[M+H-H2O]+ 288.00953 157.0
[M+HCOO]- 350.01047 177.2
[M+CH3COO]- 364.02612 175.9
[M+Na-2H]- 325.98694 169.1
[M]+ 305.01172 167.6
[M]- 305.01282 167.6
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

No patent data available for this compound.