CID 212291

24032-10-8

Structural Information

Molecular Formula
C12H16I2N2O2
SMILES
CCOC1=C(C=C(C=C1I)C(=O)NNC(C)C)I
InChI
InChI=1S/C12H16I2N2O2/c1-4-18-11-9(13)5-8(6-10(11)14)12(17)16-15-7(2)3/h5-7,15H,4H2,1-3H3,(H,16,17)
InChIKey
QVZVNEQFGKDUSK-UHFFFAOYSA-N
Compound name
4-ethoxy-3,5-diiodo-N'-propan-2-ylbenzohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

473.9301 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 474.93738 180.1
[M+Na]+ 496.91932 171.9
[M-H]- 472.92282 171.9
[M+NH4]+ 491.96392 186.2
[M+K]+ 512.89326 181.8
[M+H-H2O]+ 456.92736 167.3
[M+HCOO]- 518.92830 191.5
[M+CH3COO]- 532.94395 221.7
[M+Na-2H]- 494.90477 163.5
[M]+ 473.92955 176.3
[M]- 473.93065 176.3
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.