CID 212194

Brn 3085220

Structural Information

Molecular Formula
C12H14I2N2O2
SMILES
CCOC1=C(C=C(C=C1I)C(=O)NN=C(C)C)I
InChI
InChI=1S/C12H14I2N2O2/c1-4-18-11-9(13)5-8(6-10(11)14)12(17)16-15-7(2)3/h5-6H,4H2,1-3H3,(H,16,17)
InChIKey
FKNIRKLKTMGVEZ-UHFFFAOYSA-N
Compound name
4-ethoxy-3,5-diiodo-N-(propan-2-ylideneamino)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

471.91446 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.92174 181.2
[M+Na]+ 494.90368 175.5
[M+NH4]+ 489.94828 178.7
[M+K]+ 510.87762 176.8
[M-H]- 470.90718 171.1
[M+Na-2H]- 492.88913 163.6
[M]+ 471.91391 175.3
[M]- 471.91501 175.3
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.