CID 10092649

Tbpb

Structural Information

Molecular Formula
C25H32N4O
SMILES
CC1=CC=CC=C1CN2CCC(CC2)N3CCC(CC3)N4C5=CC=CC=C5NC4=O
InChI
InChI=1S/C25H32N4O/c1-19-6-2-3-7-20(19)18-27-14-10-21(11-15-27)28-16-12-22(13-17-28)29-24-9-5-4-8-23(24)26-25(29)30/h2-9,21-22H,10-18H2,1H3,(H,26,30)
InChIKey
CWPKTBMRVATCBL-UHFFFAOYSA-N
Compound name
3-[1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

19
References

1996
Patents

404.2576 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.26488 203.0
[M+Na]+ 427.24682 207.5
[M-H]- 403.25032 208.6
[M+NH4]+ 422.29142 209.3
[M+K]+ 443.22076 198.4
[M+H-H2O]+ 387.25486 189.3
[M+HCOO]- 449.25580 212.5
[M+CH3COO]- 463.27145 208.8
[M+Na-2H]- 425.23227 200.0
[M]+ 404.25705 195.4
[M]- 404.25815 195.4
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