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 151.8
[M+Na]+ 285.10320 159.6
[M-H]- 261.10670 156.8
[M+NH4]+ 280.14780 163.3
[M+K]+ 301.07714 158.6
[M+H-H2O]+ 245.11124 138.9
[M+HCOO]- 307.11218 167.8
[M+CH3COO]- 321.12783 197.9
[M+Na-2H]- 283.08865 154.1
[M]+ 262.11343 165.6
[M]- 262.11453 165.6
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.