CID 212196

23959-66-2

Structural Information

Molecular Formula
C13H16I2N2O2
SMILES
CCCOC1=C(C=C(C=C1I)C(=O)NN=C(C)C)I
InChI
InChI=1S/C13H16I2N2O2/c1-4-5-19-12-10(14)6-9(7-11(12)15)13(18)17-16-8(2)3/h6-7H,4-5H2,1-3H3,(H,17,18)
InChIKey
OYOAZNPYJZAPML-UHFFFAOYSA-N
Compound name
3,5-diiodo-N-(propan-2-ylideneamino)-4-propoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

485.9301 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 486.93738 180.5
[M+Na]+ 508.91932 172.6
[M-H]- 484.92282 173.2
[M+NH4]+ 503.96392 186.8
[M+K]+ 524.89326 182.5
[M+H-H2O]+ 468.92736 167.4
[M+HCOO]- 530.92830 193.0
[M+CH3COO]- 544.94395 224.9
[M+Na-2H]- 506.90477 164.1
[M]+ 485.92955 177.9
[M]- 485.93065 177.9
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.