CID 473982

178979-64-1

Structural Information

Molecular Formula
C15H20ClN3S
SMILES
CCN1C(=NC(=C1SC2=CC(=CC=C2)Cl)C(C)C)CN
InChI
InChI=1S/C15H20ClN3S/c1-4-19-13(9-17)18-14(10(2)3)15(19)20-12-7-5-6-11(16)8-12/h5-8,10H,4,9,17H2,1-3H3
InChIKey
ZFHJUJKUPXOJIG-UHFFFAOYSA-N
Compound name
[5-(3-chlorophenyl)sulfanyl-1-ethyl-4-propan-2-ylimidazol-2-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

309.10666 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.11394 171.7
[M+Na]+ 332.09588 181.5
[M-H]- 308.09938 176.1
[M+NH4]+ 327.14048 187.5
[M+K]+ 348.06982 174.8
[M+H-H2O]+ 292.10392 164.4
[M+HCOO]- 354.10486 183.5
[M+CH3COO]- 368.12051 207.2
[M+Na-2H]- 330.08133 168.6
[M]+ 309.10611 176.5
[M]- 309.10721 176.5
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