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]+ 412.19792 194.1
[M+Na]+ 434.17986 198.5
[M-H]- 410.18336 197.0
[M+NH4]+ 429.22446 199.9
[M+K]+ 450.15380 192.4
[M+H-H2O]+ 394.18790 184.1
[M+HCOO]- 456.18884 207.0
[M+CH3COO]- 470.20449 200.4
[M+Na-2H]- 432.16531 193.4
[M]+ 411.19009 188.8
[M]- 411.19119 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.