CID 24729597

6-chloro-1h-pyrrolo[2,3-b]pyridin-4-amine

Structural Information

Molecular Formula
C7H6ClN3
SMILES
C1=CNC2=C1C(=CC(=N2)Cl)N
InChI
InChI=1S/C7H6ClN3/c8-6-3-5(9)4-1-2-10-7(4)11-6/h1-3H,(H3,9,10,11)
InChIKey
IKFOABTXBHOTPL-UHFFFAOYSA-N
Compound name
6-chloro-1H-pyrrolo[2,3-b]pyridin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.02502 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.032296 129.9
[M+Na]+ 190.014238 142.0
[M-H]- 166.017744 130.8
[M+NH4]+ 185.058843 150.8
[M+K]+ 205.988178 136.3
[M+H-H2O]+ 150.022280 124.0
[M+HCOO]- 212.023221 148.8
[M+CH3COO]- 226.038871 143.9
[M+Na-2H]- 187.999686 137.7
[M]+ 167.02447142 130.2
[M]- 167.02556858 130.2
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

No patent data available for this compound.