CID 47895

Technetium tc-99m iprofenin

Structural Information

Molecular Formula
C15H20N2O5
SMILES
CC(C)C1=CC=C(C=C1)NC(=O)CN(CC(=O)O)CC(=O)O
InChI
InChI=1S/C15H20N2O5/c1-10(2)11-3-5-12(6-4-11)16-13(18)7-17(8-14(19)20)9-15(21)22/h3-6,10H,7-9H2,1-2H3,(H,16,18)(H,19,20)(H,21,22)
InChIKey
FPTRWYHXARAFPO-UHFFFAOYSA-N
Compound name
2-[carboxymethyl-[2-oxo-2-(4-propan-2-ylanilino)ethyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

103
References

410
Patents

308.1372 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.14448 171.7
[M+Na]+ 331.12642 174.3
[M-H]- 307.12992 173.2
[M+NH4]+ 326.17102 184.4
[M+K]+ 347.10036 174.1
[M+H-H2O]+ 291.13446 164.1
[M+HCOO]- 353.13540 191.4
[M+CH3COO]- 367.15105 210.0
[M+Na-2H]- 329.11187 170.1
[M]+ 308.13665 172.5
[M]- 308.13775 172.5
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