CID 473925

178979-06-1

Structural Information

Molecular Formula
C16H19ClN2OS
SMILES
CC(C)C1=C(N(C(=N1)CO)CC=C)SC2=CC(=CC=C2)Cl
InChI
InChI=1S/C16H19ClN2OS/c1-4-8-19-14(10-20)18-15(11(2)3)16(19)21-13-7-5-6-12(17)9-13/h4-7,9,11,20H,1,8,10H2,2-3H3
InChIKey
DOBJOCSYGHQILN-UHFFFAOYSA-N
Compound name
[5-(3-chlorophenyl)sulfanyl-4-propan-2-yl-1-prop-2-enylimidazol-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

322.09067 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.09795 173.8
[M+Na]+ 345.07989 183.7
[M-H]- 321.08339 177.3
[M+NH4]+ 340.12449 188.8
[M+K]+ 361.05383 176.4
[M+H-H2O]+ 305.08793 166.9
[M+HCOO]- 367.08887 183.8
[M+CH3COO]- 381.10452 204.6
[M+Na-2H]- 343.06534 170.3
[M]+ 322.09012 179.4
[M]- 322.09122 179.4
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