CID 216972

5'-amino-2',4'-diiodo-n-ethylsuccinanilic acid

Structural Information

Molecular Formula
C12H14I2N2O3
SMILES
CCN(C1=C(C=C(C(=C1)N)I)I)C(=O)CCC(=O)O
InChI
InChI=1S/C12H14I2N2O3/c1-2-16(11(17)3-4-12(18)19)10-6-9(15)7(13)5-8(10)14/h5-6H,2-4,15H2,1H3,(H,18,19)
InChIKey
JMRAFCANAAHDHH-UHFFFAOYSA-N
Compound name
4-(5-amino-N-ethyl-2,4-diiodoanilino)-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

487.9094 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 488.91668 188.4
[M+Na]+ 510.89862 181.4
[M+NH4]+ 505.94322 184.9
[M+K]+ 526.87256 183.8
[M-H]- 486.90212 177.1
[M+Na-2H]- 508.88407 169.0
[M]+ 487.90885 181.9
[M]- 487.90995 181.9
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.