CID 212160

23959-36-6

Structural Information

Molecular Formula
C17H18I2N2O2
SMILES
CC(C)NNC(=O)C1=CC(=C(C(=C1)I)OCC2=CC=CC=C2)I
InChI
InChI=1S/C17H18I2N2O2/c1-11(2)20-21-17(22)13-8-14(18)16(15(19)9-13)23-10-12-6-4-3-5-7-12/h3-9,11,20H,10H2,1-2H3,(H,21,22)
InChIKey
UVOQMKZVFANZPK-UHFFFAOYSA-N
Compound name
3,5-diiodo-4-phenylmethoxy-N'-propan-2-ylbenzohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

535.94574 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 536.95302 200.8
[M+Na]+ 558.93496 191.5
[M-H]- 534.93846 194.0
[M+NH4]+ 553.97956 204.1
[M+K]+ 574.90890 199.9
[M+H-H2O]+ 518.94300 186.1
[M+HCOO]- 580.94394 211.5
[M+CH3COO]- 594.95959 230.1
[M+Na-2H]- 556.92041 183.8
[M]+ 535.94519 195.8
[M]- 535.94629 195.8
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.