CID 1047679

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

Structural Information

Molecular Formula
C15H14INO3
SMILES
COC1=CC(=C(C=C1)OC)NC(=O)C2=CC=CC=C2I
InChI
InChI=1S/C15H14INO3/c1-19-10-7-8-14(20-2)13(9-10)17-15(18)11-5-3-4-6-12(11)16/h3-9H,1-2H3,(H,17,18)
InChIKey
JSBWSZAIQTXXCZ-UHFFFAOYSA-N
Compound name
N-(2,5-dimethoxyphenyl)-2-iodobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.00183 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.00911 175.3
[M+Na]+ 405.99105 175.6
[M-H]- 381.99455 174.9
[M+NH4]+ 401.03565 186.2
[M+K]+ 421.96499 178.7
[M+H-H2O]+ 365.99909 163.5
[M+HCOO]- 428.00003 194.3
[M+CH3COO]- 442.01568 209.1
[M+Na-2H]- 403.97650 166.9
[M]+ 383.00128 175.0
[M]- 383.00238 175.0
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.