CID 3058024

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

Structural Information

Molecular Formula
C21H25N5O4
SMILES
C1CN(CCC1N2C3=CC=CC=C3NC2=O)CC(C4=CC(=C(C=C4)O)NC(=O)N)O
InChI
InChI=1S/C21H25N5O4/c22-20(29)23-16-11-13(5-6-18(16)27)19(28)12-25-9-7-14(8-10-25)26-17-4-2-1-3-15(17)24-21(26)30/h1-6,11,14,19,27-28H,7-10,12H2,(H,24,30)(H3,22,23,29)
InChIKey
KYPRNAYRTHKROO-UHFFFAOYSA-N
Compound name
[2-hydroxy-5-[1-hydroxy-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]phenyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.19064 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.197916 194.1
[M+Na]+ 434.179858 198.5
[M-H]- 410.183364 197.0
[M+NH4]+ 429.224463 199.9
[M+K]+ 450.153798 192.4
[M+H-H2O]+ 394.187900 184.1
[M+HCOO]- 456.188841 207.0
[M+CH3COO]- 470.204491 200.4
[M+Na-2H]- 432.165306 193.4
[M]+ 411.19009142 188.8
[M]- 411.19118858 188.8
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.