CID 473988

178979-70-9

Structural Information

Molecular Formula
C16H21Cl2N3OS
SMILES
CC(C)C1=C(N(C(=N1)CNCCO)C)SC2=CC(=CC(=C2)Cl)Cl
InChI
InChI=1S/C16H21Cl2N3OS/c1-10(2)15-16(21(3)14(20-15)9-19-4-5-22)23-13-7-11(17)6-12(18)8-13/h6-8,10,19,22H,4-5,9H2,1-3H3
InChIKey
RDMVMEPZWMZXDX-UHFFFAOYSA-N
Compound name
2-[[5-(3,5-dichlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]methylamino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

373.07825 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.08553 184.1
[M+Na]+ 396.06747 193.6
[M-H]- 372.07097 187.2
[M+NH4]+ 391.11207 197.4
[M+K]+ 412.04141 186.0
[M+H-H2O]+ 356.07551 177.6
[M+HCOO]- 418.07645 189.8
[M+CH3COO]- 432.09210 215.6
[M+Na-2H]- 394.05292 180.1
[M]+ 373.07770 191.0
[M]- 373.07880 191.0
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