CID 3042661

60176-50-3

Structural Information

Molecular Formula
C14H16N4O2S
SMILES
CCNC(=O)NC(=O)CSC1=NC=CN1C2=CC=CC=C2
InChI
InChI=1S/C14H16N4O2S/c1-2-15-13(20)17-12(19)10-21-14-16-8-9-18(14)11-6-4-3-5-7-11/h3-9H,2,10H2,1H3,(H2,15,17,19,20)
InChIKey
YAIBAVOAJXREBH-UHFFFAOYSA-N
Compound name
N-(ethylcarbamoyl)-2-(1-phenylimidazol-2-yl)sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.0994 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.10668 169.5
[M+Na]+ 327.08862 175.7
[M-H]- 303.09212 173.9
[M+NH4]+ 322.13322 183.4
[M+K]+ 343.06256 171.6
[M+H-H2O]+ 287.09666 160.6
[M+HCOO]- 349.09760 187.9
[M+CH3COO]- 363.11325 204.1
[M+Na-2H]- 325.07407 170.6
[M]+ 304.09885 171.7
[M]- 304.09995 171.7
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.