CID 3074550

1h-benzimidazole, 2-butoxy-1-(3-thietanyl)-

Structural Information

Molecular Formula
C14H18N2OS
SMILES
CCCCOC1=NC2=CC=CC=C2N1C3CSC3
InChI
InChI=1S/C14H18N2OS/c1-2-3-8-17-14-15-12-6-4-5-7-13(12)16(14)11-9-18-10-11/h4-7,11H,2-3,8-10H2,1H3
InChIKey
JGIWQPRRDJZRSH-UHFFFAOYSA-N
Compound name
2-butoxy-1-(thietan-3-yl)benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.11398 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.12126 149.6
[M+Na]+ 285.10320 158.3
[M+NH4]+ 280.14780 154.8
[M+K]+ 301.07714 152.8
[M-H]- 261.10670 150.1
[M+Na-2H]- 283.08865 153.9
[M]+ 262.11343 150.3
[M]- 262.11453 150.3
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.