CID 5279314

2-[5-[(3,5-dimethylphenyl)methyl]-1-(ethoxymethyl)-4-ethyl-imidazol-2-yl]sulfanylacetamide

Structural Information

Molecular Formula
C19H27N3O2S
SMILES
CCC1=C(N(C(=N1)SCC(=O)N)COCC)CC2=CC(=CC(=C2)C)C
InChI
InChI=1S/C19H27N3O2S/c1-5-16-17(10-15-8-13(3)7-14(4)9-15)22(12-24-6-2)19(21-16)25-11-18(20)23/h7-9H,5-6,10-12H2,1-4H3,(H2,20,23)
InChIKey
XNJLAZCBYXGLIX-UHFFFAOYSA-N
Compound name
2-[5-[(3,5-dimethylphenyl)methyl]-1-(ethoxymethyl)-4-ethylimidazol-2-yl]sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

361.1824 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.18968 188.3
[M+Na]+ 384.17162 196.4
[M-H]- 360.17512 192.5
[M+NH4]+ 379.21622 201.1
[M+K]+ 400.14556 190.9
[M+H-H2O]+ 344.17966 179.8
[M+HCOO]- 406.18060 204.0
[M+CH3COO]- 420.19625 220.0
[M+Na-2H]- 382.15707 183.5
[M]+ 361.18185 195.1
[M]- 361.18295 195.1
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.