CID 475887

Schembl8560120

Structural Information

Molecular Formula
C21H24N2OS
SMILES
CC1=NC(=C(N1COCC2=CC=CC=C2)SC3=CC=CC=C3)C(C)C
InChI
InChI=1S/C21H24N2OS/c1-16(2)20-21(25-19-12-8-5-9-13-19)23(17(3)22-20)15-24-14-18-10-6-4-7-11-18/h4-13,16H,14-15H2,1-3H3
InChIKey
LWBADMICYPCMRQ-UHFFFAOYSA-N
Compound name
2-methyl-1-(phenylmethoxymethyl)-5-phenylsulfanyl-4-propan-2-ylimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

352.16095 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.168226 185.2
[M+Na]+ 375.150168 193.2
[M-H]- 351.153674 192.7
[M+NH4]+ 370.194773 198.1
[M+K]+ 391.124108 187.1
[M+H-H2O]+ 335.158210 175.7
[M+HCOO]- 397.159151 201.2
[M+CH3COO]- 411.174801 195.6
[M+Na-2H]- 373.135616 183.1
[M]+ 352.16040142 190.3
[M]- 352.16149858 190.3
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

patents stripe