CID 5311194

Compb

Structural Information

Molecular Formula
C24H37N3O2
SMILES
CCN1C2=CC=CC=C2N(C1=O)[C@@H]3CCN(C[C@H]3CO)CC4CCCCCCC4
InChI
InChI=1S/C24H37N3O2/c1-2-26-22-12-8-9-13-23(22)27(24(26)29)21-14-15-25(17-20(21)18-28)16-19-10-6-4-3-5-7-11-19/h8-9,12-13,19-21,28H,2-7,10-11,14-18H2,1H3/t20-,21+/m0/s1
InChIKey
MBGVUMXBUGIIBQ-LEWJYISDSA-N
Compound name
1-[(3R,4R)-1-(cyclooctylmethyl)-3-(hydroxymethyl)piperidin-4-yl]-3-ethylbenzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

90
References

382
Patents

399.28857 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.29585 180.3
[M+Na]+ 422.27779 183.9
[M+NH4]+ 417.32239 182.3
[M+K]+ 438.25173 182.1
[M-H]- 398.28129 181.5
[M+Na-2H]- 420.26324 181.6
[M]+ 399.28802 181.0
[M]- 399.28912 181.0
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