CID 57339148

Mcoppb 3hcl

Structural Information

Molecular Formula
C26H40N4
SMILES
CC1(CCCCCCC1)N2CCC(CC2)N3C4=CC=CC=C4N=C3C5CCCNC5
InChI
InChI=1S/C26H40N4/c1-26(15-7-3-2-4-8-16-26)29-18-13-22(14-19-29)30-24-12-6-5-11-23(24)28-25(30)21-10-9-17-27-20-21/h5-6,11-12,21-22,27H,2-4,7-10,13-20H2,1H3
InChIKey
CYYNMPPFEJPBJD-UHFFFAOYSA-N
Compound name
1-[1-(1-methylcyclooctyl)piperidin-4-yl]-2-piperidin-3-ylbenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

408.3253 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.332576 188.8
[M+Na]+ 431.314518 190.4
[M-H]- 407.318024 190.5
[M+NH4]+ 426.359123 192.1
[M+K]+ 447.288458 187.5
[M+H-H2O]+ 391.322560 180.9
[M+HCOO]- 453.323501 190.5
[M+CH3COO]- 467.339151 189.2
[M+Na-2H]- 429.299966 183.6
[M]+ 408.32475142 182.3
[M]- 408.32584858 182.3
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