CID 52766

73932-15-7

Structural Information

Molecular Formula
C15H18N2OS
SMILES
CCCCSC1=CC=C(C=C1)C(=O)CN2C=CN=C2
InChI
InChI=1S/C15H18N2OS/c1-2-3-10-19-14-6-4-13(5-7-14)15(18)11-17-9-8-16-12-17/h4-9,12H,2-3,10-11H2,1H3
InChIKey
GSPCMLVRSLMQTH-UHFFFAOYSA-N
Compound name
1-(4-butylsulfanylphenyl)-2-imidazol-1-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

274.11398 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.12126 164.3
[M+Na]+ 297.10320 176.6
[M+NH4]+ 292.14780 172.1
[M+K]+ 313.07714 168.8
[M-H]- 273.10670 167.0
[M+Na-2H]- 295.08865 170.9
[M]+ 274.11343 167.2
[M]- 274.11453 167.2
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

patents stripe