CID 3042667

Brn 0829793

Structural Information

Molecular Formula
C14H16N4O2S
SMILES
CC1=CC=C(C=C1)N2C=CN=C2SCC(=O)NC(=O)NC
InChI
InChI=1S/C14H16N4O2S/c1-10-3-5-11(6-4-10)18-8-7-16-14(18)21-9-12(19)17-13(20)15-2/h3-8H,9H2,1-2H3,(H2,15,17,19,20)
InChIKey
CMNVKAXSKIDORQ-UHFFFAOYSA-N
Compound name
N-(methylcarbamoyl)-2-[1-(4-methylphenyl)imidazol-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 170.0
[M+Na]+ 327.08862 179.4
[M+NH4]+ 322.13322 175.9
[M+K]+ 343.06256 174.3
[M-H]- 303.09212 172.3
[M+Na-2H]- 325.07407 175.4
[M]+ 304.09885 172.0
[M]- 304.09995 172.0
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.