CID 3058029

((oxalamino-3 hydroxy-4 phenyl)-2 hydroxy-2) ethyl-1 (oxo-2 benzimidazolinyl-1)-4 piperidine

Structural Information

Molecular Formula
C22H24N4O6
SMILES
C1CN(CCC1N2C3=CC=CC=C3NC2=O)CC(C4=CC(=C(C=C4)O)NC(=O)C(=O)O)O
InChI
InChI=1S/C22H24N4O6/c27-18-6-5-13(11-16(18)23-20(29)21(30)31)19(28)12-25-9-7-14(8-10-25)26-17-4-2-1-3-15(17)24-22(26)32/h1-6,11,14,19,27-28H,7-10,12H2,(H,23,29)(H,24,32)(H,30,31)
InChIKey
GQDYRKLOOYBIMR-UHFFFAOYSA-N
Compound name
2-[2-hydroxy-5-[1-hydroxy-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]anilino]-2-oxoacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.1696 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.17688 199.2
[M+Na]+ 463.15882 203.0
[M-H]- 439.16232 201.3
[M+NH4]+ 458.20342 203.3
[M+K]+ 479.13276 197.9
[M+H-H2O]+ 423.16686 189.6
[M+HCOO]- 485.16780 209.3
[M+CH3COO]- 499.18345 223.9
[M+Na-2H]- 461.14427 197.2
[M]+ 440.16905 195.4
[M]- 440.17015 195.4
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.