CID 3058017

74405-95-1

Structural Information

Molecular Formula
C20H23N3O4
SMILES
C1CN(CCC1N2C3=CC=CC=C3NC2=O)CC(C4=CC(=C(C=C4)O)O)O
InChI
InChI=1S/C20H23N3O4/c24-17-6-5-13(11-18(17)25)19(26)12-22-9-7-14(8-10-22)23-16-4-2-1-3-15(16)21-20(23)27/h1-6,11,14,19,24-26H,7-10,12H2,(H,21,27)
InChIKey
SXWTWEOHZMNYIE-UHFFFAOYSA-N
Compound name
3-[1-[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]piperidin-4-yl]-1H-benzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.16885 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.17613 186.5
[M+Na]+ 392.15807 192.9
[M-H]- 368.16157 188.5
[M+NH4]+ 387.20267 194.4
[M+K]+ 408.13201 185.9
[M+H-H2O]+ 352.16611 177.0
[M+HCOO]- 414.16705 197.5
[M+CH3COO]- 428.18270 193.8
[M+Na-2H]- 390.14352 185.9
[M]+ 369.16830 182.5
[M]- 369.16940 182.5
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

patents stripe