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

7
Patents

352.16095 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.16823 185.2
[M+Na]+ 375.15017 193.2
[M-H]- 351.15367 192.7
[M+NH4]+ 370.19477 198.1
[M+K]+ 391.12411 187.1
[M+H-H2O]+ 335.15821 175.7
[M+HCOO]- 397.15915 201.2
[M+CH3COO]- 411.17480 195.6
[M+Na-2H]- 373.13562 183.1
[M]+ 352.16040 190.3
[M]- 352.16150 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