CID 5279313

2-[5-(cyclohexylmethyl)-4-isopropyl-1-(4-pyridylmethyl)imidazol-2-yl]sulfanylacetamide

Structural Information

Molecular Formula
C21H30N4OS
SMILES
CC(C)C1=C(N(C(=N1)SCC(=O)N)CC2=CC=NC=C2)CC3CCCCC3
InChI
InChI=1S/C21H30N4OS/c1-15(2)20-18(12-16-6-4-3-5-7-16)25(13-17-8-10-23-11-9-17)21(24-20)27-14-19(22)26/h8-11,15-16H,3-7,12-14H2,1-2H3,(H2,22,26)
InChIKey
SWIITVPSQKPMFO-UHFFFAOYSA-N
Compound name
2-[5-(cyclohexylmethyl)-4-propan-2-yl-1-(pyridin-4-ylmethyl)imidazol-2-yl]sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

386.21402 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.22130 194.4
[M+Na]+ 409.20324 198.1
[M-H]- 385.20674 198.7
[M+NH4]+ 404.24784 203.4
[M+K]+ 425.17718 192.2
[M+H-H2O]+ 369.21128 184.2
[M+HCOO]- 431.21222 204.3
[M+CH3COO]- 445.22787 221.8
[M+Na-2H]- 407.18869 188.6
[M]+ 386.21347 192.9
[M]- 386.21457 192.9
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.