CID 3042668

60176-57-0

Structural Information

Molecular Formula
C14H16N4O2S
SMILES
CC1=CC=CC=C1N2C=CN=C2SCC(=O)NC(=O)NC
InChI
InChI=1S/C14H16N4O2S/c1-10-5-3-4-6-11(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
FVJUISXHDLQIFH-UHFFFAOYSA-N
Compound name
N-(methylcarbamoyl)-2-[1-(2-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 177.0
[M-H]- 303.09212 174.8
[M+NH4]+ 322.13322 184.2
[M+K]+ 343.06256 172.9
[M+H-H2O]+ 287.09666 161.4
[M+HCOO]- 349.09760 188.4
[M+CH3COO]- 363.11325 205.3
[M+Na-2H]- 325.07407 170.4
[M]+ 304.09885 172.6
[M]- 304.09995 172.6
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.