CID 212169

23959-42-4

Structural Information

Molecular Formula
C14H18I2N2O2
SMILES
CCCCOC1=C(C=C(C=C1I)C(=O)NN=C(C)C)I
InChI
InChI=1S/C14H18I2N2O2/c1-4-5-6-20-13-11(15)7-10(8-12(13)16)14(19)18-17-9(2)3/h7-8H,4-6H2,1-3H3,(H,18,19)
InChIKey
FOBDCLVFCHFSTL-UHFFFAOYSA-N
Compound name
4-butoxy-3,5-diiodo-N-(propan-2-ylideneamino)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

499.94577 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 500.95305 185.1
[M+Na]+ 522.93499 176.8
[M-H]- 498.93849 177.7
[M+NH4]+ 517.97959 190.9
[M+K]+ 538.90893 186.6
[M+H-H2O]+ 482.94303 171.9
[M+HCOO]- 544.94397 197.4
[M+CH3COO]- 558.95962 227.2
[M+Na-2H]- 520.92044 168.2
[M]+ 499.94522 182.8
[M]- 499.94632 182.8
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.