CID 3042657

60176-46-7

Structural Information

Molecular Formula
C16H20N4O2S
SMILES
CCNC(=O)NC(=O)CSC1=NC=CN1C2=C(C=CC=C2C)C
InChI
InChI=1S/C16H20N4O2S/c1-4-17-15(22)19-13(21)10-23-16-18-8-9-20(16)14-11(2)6-5-7-12(14)3/h5-9H,4,10H2,1-3H3,(H2,17,19,21,22)
InChIKey
NKTVAVQBKOQZQC-UHFFFAOYSA-N
Compound name
2-[1-(2,6-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(ethylcarbamoyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.1307 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.13798 179.0
[M+Na]+ 355.11992 185.9
[M-H]- 331.12342 183.7
[M+NH4]+ 350.16452 192.3
[M+K]+ 371.09386 181.4
[M+H-H2O]+ 315.12796 170.3
[M+HCOO]- 377.12890 196.6
[M+CH3COO]- 391.14455 212.5
[M+Na-2H]- 353.10537 177.6
[M]+ 332.13015 182.6
[M]- 332.13125 182.6
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.