CID 473937

Schembl6965320

Structural Information

Molecular Formula
C16H21ClN2OS
SMILES
CCCN1C(=NC(=C1SC2=CC(=CC=C2)Cl)C(C)C)CO
InChI
InChI=1S/C16H21ClN2OS/c1-4-8-19-14(10-20)18-15(11(2)3)16(19)21-13-7-5-6-12(17)9-13/h5-7,9,11,20H,4,8,10H2,1-3H3
InChIKey
LOBICVHAIOZNCV-UHFFFAOYSA-N
Compound name
[5-(3-chlorophenyl)sulfanyl-4-propan-2-yl-1-propylimidazol-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

324.10632 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.11360 174.3
[M+Na]+ 347.09554 183.9
[M-H]- 323.09904 177.8
[M+NH4]+ 342.14014 189.3
[M+K]+ 363.06948 177.3
[M+H-H2O]+ 307.10358 167.4
[M+HCOO]- 369.10452 184.2
[M+CH3COO]- 383.12017 205.4
[M+Na-2H]- 345.08099 170.9
[M]+ 324.10577 180.7
[M]- 324.10687 180.7
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