CID 3074661

160518-46-7

Structural Information

Molecular Formula
C15H19ClN2O2S
SMILES
CCCOC1=C(C=C(C=C1)C(=O)CSC2=NCCN2C)Cl
InChI
InChI=1S/C15H19ClN2O2S/c1-3-8-20-14-5-4-11(9-12(14)16)13(19)10-21-15-17-6-7-18(15)2/h4-5,9H,3,6-8,10H2,1-2H3
InChIKey
FMPZJLYVCKHHAO-UHFFFAOYSA-N
Compound name
1-(3-chloro-4-propoxyphenyl)-2-[(1-methyl-4,5-dihydroimidazol-2-yl)sulfanyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.08557 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.09285 174.3
[M+Na]+ 349.07479 183.1
[M-H]- 325.07829 178.6
[M+NH4]+ 344.11939 189.4
[M+K]+ 365.04873 177.8
[M+H-H2O]+ 309.08283 166.9
[M+HCOO]- 371.08377 185.0
[M+CH3COO]- 385.09942 204.6
[M+Na-2H]- 347.06024 171.5
[M]+ 326.08502 180.9
[M]- 326.08612 180.9
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.