CID 3086811

1h-benzimidazole, 1-(4-(1-piperidinyl)-2-butynyl)-2-((4-(1-piperidinyl)-2-butynyl)thio)-

Structural Information

Molecular Formula
C25H32N4S
SMILES
C1CCN(CC1)CC#CCN2C3=CC=CC=C3N=C2SCC#CCN4CCCCC4
InChI
InChI=1S/C25H32N4S/c1-5-15-27(16-6-1)19-9-10-21-29-24-14-4-3-13-23(24)26-25(29)30-22-12-11-20-28-17-7-2-8-18-28/h3-4,13-14H,1-2,5-8,15-22H2
InChIKey
SXASHQGIUWGDTG-UHFFFAOYSA-N
Compound name
1-(4-piperidin-1-ylbut-2-ynyl)-2-(4-piperidin-1-ylbut-2-ynylsulfanyl)benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.23477 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.24205 192.5
[M+Na]+ 443.22399 200.4
[M-H]- 419.22749 191.5
[M+NH4]+ 438.26859 196.9
[M+K]+ 459.19793 188.8
[M+H-H2O]+ 403.23203 173.5
[M+HCOO]- 465.23297 189.7
[M+CH3COO]- 479.24862 194.3
[M+Na-2H]- 441.20944 187.2
[M]+ 420.23422 181.0
[M]- 420.23532 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.