CID 212170

Brn 3064872

Structural Information

Molecular Formula
C14H18I2N2O2
SMILES
CC(C)COC1=C(C=C(C=C1I)C(=O)NN=C(C)C)I
InChI
InChI=1S/C14H18I2N2O2/c1-8(2)7-20-13-11(15)5-10(6-12(13)16)14(19)18-17-9(3)4/h5-6,8H,7H2,1-4H3,(H,18,19)
InChIKey
LBGMGMJMWTYYLQ-UHFFFAOYSA-N
Compound name
3,5-diiodo-4-(2-methylpropoxy)-N-(propan-2-ylideneamino)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

499.94577 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 500.95305 184.0
[M+Na]+ 522.93499 175.5
[M-H]- 498.93849 176.7
[M+NH4]+ 517.97959 189.7
[M+K]+ 538.90893 185.7
[M+H-H2O]+ 482.94303 170.9
[M+HCOO]- 544.94397 195.5
[M+CH3COO]- 558.95962 227.9
[M+Na-2H]- 520.92044 166.3
[M]+ 499.94522 181.1
[M]- 499.94632 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.