CID 478180

Schembl6165158

Structural Information

Molecular Formula
C18H26N2O2S
SMILES
CC1=CC(=CC(=C1)SC2=C(N=C(N2COCCO)C)C(C)C)C
InChI
InChI=1S/C18H26N2O2S/c1-12(2)17-18(20(15(5)19-17)11-22-7-6-21)23-16-9-13(3)8-14(4)10-16/h8-10,12,21H,6-7,11H2,1-5H3
InChIKey
GKONLQYKIBYJAQ-UHFFFAOYSA-N
Compound name
2-[[5-(3,5-dimethylphenyl)sulfanyl-2-methyl-4-propan-2-ylimidazol-1-yl]methoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

334.1715 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.17878 180.3
[M+Na]+ 357.16072 189.0
[M-H]- 333.16422 183.9
[M+NH4]+ 352.20532 194.2
[M+K]+ 373.13466 184.0
[M+H-H2O]+ 317.16876 172.6
[M+HCOO]- 379.16970 194.3
[M+CH3COO]- 393.18535 210.9
[M+Na-2H]- 355.14617 175.8
[M]+ 334.17095 187.3
[M]- 334.17205 187.3
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.