CID 170344

Tc-99m ehida

Structural Information

Molecular Formula
C16H22N2O5
SMILES
CCC1=C(C(=CC=C1)CC)NC(=O)CN(CC(=O)O)CC(=O)O
InChI
InChI=1S/C16H22N2O5/c1-3-11-6-5-7-12(4-2)16(11)17-13(19)8-18(9-14(20)21)10-15(22)23/h5-7H,3-4,8-10H2,1-2H3,(H,17,19)(H,20,21)(H,22,23)
InChIKey
WNIDXAKKFOKNEF-UHFFFAOYSA-N
Compound name
2-[carboxymethyl-[2-(2,6-diethylanilino)-2-oxoethyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

19
References

429
Patents

322.15286 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.16014 176.1
[M+Na]+ 345.14208 182.4
[M+NH4]+ 340.18668 179.3
[M+K]+ 361.11602 180.0
[M-H]- 321.14558 174.9
[M+Na-2H]- 343.12753 177.2
[M]+ 322.15231 175.9
[M]- 322.15341 175.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe