CID 1548992

Metiamide

Structural Information

Molecular Formula
C9H16N4S2
SMILES
CC1=C(N=CN1)CSCCNC(=S)NC
InChI
InChI=1S/C9H16N4S2/c1-7-8(13-6-12-7)5-15-4-3-11-9(14)10-2/h6H,3-5H2,1-2H3,(H,12,13)(H2,10,11,14)
InChIKey
FPBPLBWLMYGIQR-UHFFFAOYSA-N
Compound name
1-methyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]thiourea
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

630
References

1449
Patents

244.08163 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.088906 151.3
[M+Na]+ 267.070848 158.3
[M-H]- 243.074354 150.8
[M+NH4]+ 262.115453 167.7
[M+K]+ 283.044788 152.7
[M+H-H2O]+ 227.078890 144.2
[M+HCOO]- 289.079831 162.6
[M+CH3COO]- 303.095481 192.2
[M+Na-2H]- 265.056296 150.6
[M]+ 244.08108142 151.5
[M]- 244.08217858 151.5
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

patents stripe