CID 3086810

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

Structural Information

Molecular Formula
C23H28N4O2S
SMILES
C1COCCN1CC#CCN2C3=CC=CC=C3N=C2SCC#CCN4CCOCC4
InChI
InChI=1S/C23H28N4O2S/c1-2-8-22-21(7-1)24-23(30-20-6-5-10-26-14-18-29-19-15-26)27(22)11-4-3-9-25-12-16-28-17-13-25/h1-2,7-8H,9-20H2
InChIKey
YEIPUVAFYOFHGR-UHFFFAOYSA-N
Compound name
4-[4-[1-(4-morpholin-4-ylbut-2-ynyl)benzimidazol-2-yl]sulfanylbut-2-ynyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.1933 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.20058 209.4
[M+Na]+ 447.18252 218.3
[M+NH4]+ 442.22712 208.9
[M+K]+ 463.15646 206.3
[M-H]- 423.18602 200.9
[M+Na-2H]- 445.16797 206.1
[M]+ 424.19275 207.3
[M]- 424.19385 207.3
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.