CID 33652

N-(2,5-dimethoxyphenyl)-2-iodoacetamide

Structural Information

Molecular Formula
C10H12INO3
SMILES
COC1=CC(=C(C=C1)OC)NC(=O)CI
InChI
InChI=1S/C10H12INO3/c1-14-7-3-4-9(15-2)8(5-7)12-10(13)6-11/h3-5H,6H2,1-2H3,(H,12,13)
InChIKey
YZLASIUOKWQXAF-UHFFFAOYSA-N
Compound name
N-(2,5-dimethoxyphenyl)-2-iodoacetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7
Patents

320.98618 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.99346 159.4
[M+Na]+ 343.97540 159.8
[M-H]- 319.97890 156.2
[M+NH4]+ 339.02000 173.0
[M+K]+ 359.94934 164.5
[M+H-H2O]+ 303.98344 149.2
[M+HCOO]- 365.98438 178.8
[M+CH3COO]- 380.00003 197.8
[M+Na-2H]- 341.96085 151.5
[M]+ 320.98563 159.7
[M]- 320.98673 159.7
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