CID 44356696

Rp-73163

Structural Information

Molecular Formula
C26H30N4OS
SMILES
CC1=CC(=NN1CCCCCCS(=O)C2=NC(=C(N2)C3=CC=CC=C3)C4=CC=CC=C4)C
InChI
InChI=1S/C26H30N4OS/c1-20-19-21(2)30(29-20)17-11-3-4-12-18-32(31)26-27-24(22-13-7-5-8-14-22)25(28-26)23-15-9-6-10-16-23/h5-10,13-16,19H,3-4,11-12,17-18H2,1-2H3,(H,27,28)
InChIKey
TVSPJKIQOPZAPE-UHFFFAOYSA-N
Compound name
1-[6-[(4,5-diphenyl-1H-imidazol-2-yl)sulfinyl]hexyl]-3,5-dimethylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

446.21402 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.22130 208.6
[M+Na]+ 469.20324 217.3
[M-H]- 445.20674 216.3
[M+NH4]+ 464.24784 216.1
[M+K]+ 485.17718 208.4
[M+H-H2O]+ 429.21128 198.1
[M+HCOO]- 491.21222 222.7
[M+CH3COO]- 505.22787 216.8
[M+Na-2H]- 467.18869 203.2
[M]+ 446.21347 214.0
[M]- 446.21457 214.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.