CID 207366

Brn 1233258

Structural Information

Molecular Formula
C18H18I4N2O5
SMILES
C1CN(CCC1C(=O)O)C(=O)C2=C(C(=C(C(=C2I)I)C(=O)N3CCOCC3)I)I
InChI
InChI=1S/C18H18I4N2O5/c19-12-10(16(25)23-3-1-9(2-4-23)18(27)28)13(20)15(22)11(14(12)21)17(26)24-5-7-29-8-6-24/h9H,1-8H2,(H,27,28)
InChIKey
RUHRHDAACHASNP-UHFFFAOYSA-N
Compound name
1-[2,3,5,6-tetraiodo-4-(morpholine-4-carbonyl)benzoyl]piperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

849.7395 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 850.74678 209.6
[M+Na]+ 872.72872 193.3
[M-H]- 848.73222 201.6
[M+NH4]+ 867.77332 203.2
[M+K]+ 888.70266 207.3
[M+H-H2O]+ 832.73676 196.5
[M+HCOO]- 894.73770 203.8
[M+CH3COO]- 908.75335 249.5
[M+Na-2H]- 870.71417 188.2
[M]+ 849.73895 200.7
[M]- 849.74005 200.7
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.