CID 473912

Schembl6965733

Structural Information

Molecular Formula
C22H26N2S
SMILES
CC1=CC(=CC(=C1)SC2=C(N=C(N2CC3=CC=CC=C3)C)C(C)C)C
InChI
InChI=1S/C22H26N2S/c1-15(2)21-22(25-20-12-16(3)11-17(4)13-20)24(18(5)23-21)14-19-9-7-6-8-10-19/h6-13,15H,14H2,1-5H3
InChIKey
KFMWPZMRHJZBJA-UHFFFAOYSA-N
Compound name
1-benzyl-5-(3,5-dimethylphenyl)sulfanyl-2-methyl-4-propan-2-ylimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

350.18167 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.18895 185.6
[M+Na]+ 373.17089 195.0
[M-H]- 349.17439 193.7
[M+NH4]+ 368.21549 199.3
[M+K]+ 389.14483 188.2
[M+H-H2O]+ 333.17893 176.6
[M+HCOO]- 395.17987 200.9
[M+CH3COO]- 409.19552 196.4
[M+Na-2H]- 371.15634 181.6
[M]+ 350.18112 190.5
[M]- 350.18222 190.5
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