CID 212171

23959-44-6

Structural Information

Molecular Formula
C17H16I2N2O2
SMILES
CC(=NNC(=O)C1=CC(=C(C(=C1)I)OCC2=CC=CC=C2)I)C
InChI
InChI=1S/C17H16I2N2O2/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/h3-9H,10H2,1-2H3,(H,21,22)
InChIKey
ZEVPTQDICTVVNB-UHFFFAOYSA-N
Compound name
3,5-diiodo-4-phenylmethoxy-N-(propan-2-ylideneamino)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

533.9301 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 534.93738 197.0
[M+Na]+ 556.91932 188.4
[M-H]- 532.92282 191.4
[M+NH4]+ 551.96392 200.9
[M+K]+ 572.89326 197.0
[M+H-H2O]+ 516.92736 182.2
[M+HCOO]- 578.92830 209.2
[M+CH3COO]- 592.94395 230.8
[M+Na-2H]- 554.90477 180.7
[M]+ 533.92955 193.0
[M]- 533.93065 193.0
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.