CID 71299232

N-(3-iodoquinolin-8-yl)acetamide

Structural Information

Molecular Formula
C11H9IN2O
SMILES
CC(=O)NC1=CC=CC2=CC(=CN=C21)I
InChI
InChI=1S/C11H9IN2O/c1-7(15)14-10-4-2-3-8-5-9(12)6-13-11(8)10/h2-6H,1H3,(H,14,15)
InChIKey
GHGQOWJMGOYLPH-UHFFFAOYSA-N
Compound name
N-(3-iodoquinolin-8-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.97595 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.98323 149.2
[M+Na]+ 334.96517 150.8
[M-H]- 310.96867 145.6
[M+NH4]+ 330.00977 162.9
[M+K]+ 350.93911 153.4
[M+H-H2O]+ 294.97321 138.6
[M+HCOO]- 356.97415 166.8
[M+CH3COO]- 370.98980 196.8
[M+Na-2H]- 332.95062 145.1
[M]+ 311.97540 146.6
[M]- 311.97650 146.6
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.