CID 3075462

182193-13-1

Structural Information

Molecular Formula
C14H17N3OS
SMILES
C1COCCN1C2=NC3=CC=CC=C3N2C4CSC4
InChI
InChI=1S/C14H17N3OS/c1-2-4-13-12(3-1)15-14(16-5-7-18-8-6-16)17(13)11-9-19-10-11/h1-4,11H,5-10H2
InChIKey
FRVLJVDEKRZAEX-UHFFFAOYSA-N
Compound name
4-[1-(thietan-3-yl)benzimidazol-2-yl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.10922 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.11650 149.3
[M+Na]+ 298.09844 156.0
[M-H]- 274.10194 155.9
[M+NH4]+ 293.14304 157.1
[M+K]+ 314.07238 156.1
[M+H-H2O]+ 258.10648 135.4
[M+HCOO]- 320.10742 160.8
[M+CH3COO]- 334.12307 160.2
[M+Na-2H]- 296.08389 151.6
[M]+ 275.10867 157.6
[M]- 275.10977 157.6
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.