CID 212154

23959-33-3

Structural Information

Molecular Formula
C13H18I2N2O2
SMILES
CCCOC1=C(C=C(C=C1I)C(=O)NNC(C)C)I
InChI
InChI=1S/C13H18I2N2O2/c1-4-5-19-12-10(14)6-9(7-11(12)15)13(18)17-16-8(2)3/h6-8,16H,4-5H2,1-3H3,(H,17,18)
InChIKey
MWKNVTFXJLLVSG-UHFFFAOYSA-N
Compound name
3,5-diiodo-N'-propan-2-yl-4-propoxybenzohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

487.94577 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 488.95305 184.8
[M+Na]+ 510.93499 176.1
[M-H]- 486.93849 176.3
[M+NH4]+ 505.97959 190.3
[M+K]+ 526.90893 185.8
[M+H-H2O]+ 470.94303 171.7
[M+HCOO]- 532.94397 195.8
[M+CH3COO]- 546.95962 224.1
[M+Na-2H]- 508.92044 167.6
[M]+ 487.94522 181.1
[M]- 487.94632 181.1
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.