CID 24801581

4-[2-(diethylamino)ethylcarbamoyl]-2-iodobenzoic acid

Structural Information

Molecular Formula
C14H19IN2O3
SMILES
CCN(CC)CCNC(=O)C1=CC(=C(C=C1)C(=O)O)I
InChI
InChI=1S/C14H19IN2O3/c1-3-17(4-2)8-7-16-13(18)10-5-6-11(14(19)20)12(15)9-10/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,18)(H,19,20)
InChIKey
FIECENUGDKHJAD-UHFFFAOYSA-N
Compound name
4-[2-(diethylamino)ethylcarbamoyl]-2-iodobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.04404 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.05132 183.8
[M+Na]+ 413.03326 184.5
[M+NH4]+ 408.07786 184.8
[M+K]+ 429.00720 182.9
[M-H]- 389.03676 178.3
[M+Na-2H]- 411.01871 173.7
[M]+ 390.04349 180.8
[M]- 390.04459 180.8
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.