CID 212287

Brn 3085482

Structural Information

Molecular Formula
C13H16I2N2O2
SMILES
CC(C)OC1=C(C=C(C=C1I)C(=O)NN=C(C)C)I
InChI
InChI=1S/C13H16I2N2O2/c1-7(2)16-17-13(18)9-5-10(14)12(11(15)6-9)19-8(3)4/h5-6,8H,1-4H3,(H,17,18)
InChIKey
UBEMPVRXERBBDM-UHFFFAOYSA-N
Compound name
3,5-diiodo-N-(propan-2-ylideneamino)-4-propan-2-yloxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

485.9301 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 486.93738 179.3
[M+Na]+ 508.91932 171.2
[M-H]- 484.92282 172.2
[M+NH4]+ 503.96392 185.5
[M+K]+ 524.89326 181.6
[M+H-H2O]+ 468.92736 166.4
[M+HCOO]- 530.92830 191.1
[M+CH3COO]- 544.94395 225.6
[M+Na-2H]- 506.90477 162.1
[M]+ 485.92955 176.2
[M]- 485.93065 176.2
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.