CID 68634

Oxiperomide

Structural Information

Molecular Formula
C20H23N3O2
SMILES
C1CN(CCC1N2C3=CC=CC=C3NC2=O)CCOC4=CC=CC=C4
InChI
InChI=1S/C20H23N3O2/c24-20-21-18-8-4-5-9-19(18)23(20)16-10-12-22(13-11-16)14-15-25-17-6-2-1-3-7-17/h1-9,16H,10-15H2,(H,21,24)
InChIKey
NVDBBGBUTKLRSN-UHFFFAOYSA-N
Compound name
3-[1-(2-phenoxyethyl)piperidin-4-yl]-1H-benzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

16
References

514
Patents

337.17902 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.18630 180.2
[M+Na]+ 360.16824 186.9
[M-H]- 336.17174 185.0
[M+NH4]+ 355.21284 191.1
[M+K]+ 376.14218 179.9
[M+H-H2O]+ 320.17628 168.9
[M+HCOO]- 382.17722 196.4
[M+CH3COO]- 396.19287 189.2
[M+Na-2H]- 358.15369 182.7
[M]+ 337.17847 178.1
[M]- 337.17957 178.1
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