CID 212193

23959-63-9

Structural Information

Molecular Formula
C11H12I2N2O2
SMILES
CC(=NNC(=O)C1=CC(=C(C(=C1)I)OC)I)C
InChI
InChI=1S/C11H12I2N2O2/c1-6(2)14-15-11(16)7-4-8(12)10(17-3)9(13)5-7/h4-5H,1-3H3,(H,15,16)
InChIKey
YURFZBVWOZUKAX-UHFFFAOYSA-N
Compound name
3,5-diiodo-4-methoxy-N-(propan-2-ylideneamino)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

457.89883 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.90611 171.2
[M+Na]+ 480.88805 164.0
[M-H]- 456.89155 164.3
[M+NH4]+ 475.93265 178.4
[M+K]+ 496.86199 174.3
[M+H-H2O]+ 440.89609 158.5
[M+HCOO]- 502.89703 184.4
[M+CH3COO]- 516.91268 220.2
[M+Na-2H]- 478.87350 155.8
[M]+ 457.89828 168.1
[M]- 457.89938 168.1
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.