CID 208612

2-amino-5-iodo-n-methylbenzamide

Structural Information

Molecular Formula
C8H9IN2O
SMILES
CNC(=O)C1=C(C=CC(=C1)I)N
InChI
InChI=1S/C8H9IN2O/c1-11-8(12)6-4-5(9)2-3-7(6)10/h2-4H,10H2,1H3,(H,11,12)
InChIKey
YRFVVYVUPKVCJN-UHFFFAOYSA-N
Compound name
2-amino-5-iodo-N-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

275.97595 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.98323 149.0
[M+Na]+ 298.96517 152.2
[M+NH4]+ 294.00977 152.4
[M+K]+ 314.93911 149.9
[M-H]- 274.96867 145.2
[M+Na-2H]- 296.95062 141.9
[M]+ 275.97540 147.0
[M]- 275.97650 147.0
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