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]+ 276.116496 149.3
[M+Na]+ 298.098438 156.0
[M-H]- 274.101944 155.9
[M+NH4]+ 293.143043 157.1
[M+K]+ 314.072378 156.1
[M+H-H2O]+ 258.106480 135.4
[M+HCOO]- 320.107421 160.8
[M+CH3COO]- 334.123071 160.2
[M+Na-2H]- 296.083886 151.6
[M]+ 275.10867142 157.6
[M]- 275.10976858 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.