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 175.9
[M+Na]+ 494.90368 168.3
[M-H]- 470.90718 168.8
[M+NH4]+ 489.94828 182.6
[M+K]+ 510.87762 178.4
[M+H-H2O]+ 454.91172 163.0
[M+HCOO]- 516.91266 188.7
[M+CH3COO]- 530.92831 222.5
[M+Na-2H]- 492.88913 160.0
[M]+ 471.91391 173.0
[M]- 471.91501 173.0
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.