CID 212195

Brn 3085206

Structural Information

Molecular Formula
C13H14I2N2O2
SMILES
CC(=NNC(=O)C1=CC(=C(C(=C1)I)OCC=C)I)C
InChI
InChI=1S/C13H14I2N2O2/c1-4-5-19-12-10(14)6-9(7-11(12)15)13(18)17-16-8(2)3/h4,6-7H,1,5H2,2-3H3,(H,17,18)
InChIKey
CFAATMHCPOUOBT-UHFFFAOYSA-N
Compound name
3,5-diiodo-N-(propan-2-ylideneamino)-4-prop-2-enoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

483.91446 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 484.92174 178.3
[M+Na]+ 506.90368 170.6
[M-H]- 482.90718 171.1
[M+NH4]+ 501.94828 184.6
[M+K]+ 522.87762 180.1
[M+H-H2O]+ 466.91172 165.3
[M+HCOO]- 528.91266 191.1
[M+CH3COO]- 542.92831 224.2
[M+Na-2H]- 504.88913 162.1
[M]+ 483.91391 175.2
[M]- 483.91501 175.2
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.