CID 473938

Schembl6961014

Structural Information

Molecular Formula
C17H20Cl2N2OS
SMILES
CC(C)C1=C(N(C(=N1)CO)CC2CC2)SC3=CC(=CC(=C3)Cl)Cl
InChI
InChI=1S/C17H20Cl2N2OS/c1-10(2)16-17(23-14-6-12(18)5-13(19)7-14)21(8-11-3-4-11)15(9-22)20-16/h5-7,10-11,22H,3-4,8-9H2,1-2H3
InChIKey
CWODHGCCLCFYTE-UHFFFAOYSA-N
Compound name
[1-(cyclopropylmethyl)-5-(3,5-dichlorophenyl)sulfanyl-4-propan-2-ylimidazol-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

370.06735 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.07463 173.7
[M+Na]+ 393.05657 184.6
[M-H]- 369.06007 179.7
[M+NH4]+ 388.10117 182.6
[M+K]+ 409.03051 176.3
[M+H-H2O]+ 353.06461 167.0
[M+HCOO]- 415.06555 179.3
[M+CH3COO]- 429.08120 183.6
[M+Na-2H]- 391.04202 169.6
[M]+ 370.06680 182.2
[M]- 370.06790 182.2
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

No patent data available for this compound.