CID 10225083

Chembl427683

Structural Information

Molecular Formula
C26H35N3O3
SMILES
CC1=C(C=C(C=C1)OC)OC(CCN2CCC(CC2)N3C4=CC=CC=C4NC3=O)C(C)C
InChI
InChI=1S/C26H35N3O3/c1-18(2)24(32-25-17-21(31-4)10-9-19(25)3)13-16-28-14-11-20(12-15-28)29-23-8-6-5-7-22(23)27-26(29)30/h5-10,17-18,20,24H,11-16H2,1-4H3,(H,27,30)
InChIKey
HDTXDTWVQLQAMW-UHFFFAOYSA-N
Compound name
3-[1-[3-(5-methoxy-2-methylphenoxy)-4-methylpentyl]piperidin-4-yl]-1H-benzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

1
Patents

437.26785 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.27513 209.9
[M+Na]+ 460.25707 222.8
[M+NH4]+ 455.30167 215.4
[M+K]+ 476.23101 217.4
[M-H]- 436.26057 213.5
[M+Na-2H]- 458.24252 215.0
[M]+ 437.26730 212.6
[M]- 437.26840 212.6
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