CID 3032915

Burimamide

Structural Information

Molecular Formula
C9H16N4S
SMILES
CNC(=S)NCCCCC1=CN=CN1
InChI
InChI=1S/C9H16N4S/c1-10-9(14)12-5-3-2-4-8-6-11-7-13-8/h6-7H,2-5H2,1H3,(H,11,13)(H2,10,12,14)
InChIKey
HXRBAVXGYZUSED-UHFFFAOYSA-N
Compound name
1-[4-(1H-imidazol-5-yl)butyl]-3-methylthiourea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

187
References

1726
Patents

212.10957 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.11685 147.5
[M+Na]+ 235.09879 153.4
[M-H]- 211.10229 147.0
[M+NH4]+ 230.14339 164.7
[M+K]+ 251.07273 149.4
[M+H-H2O]+ 195.10683 139.8
[M+HCOO]- 257.10777 164.7
[M+CH3COO]- 271.12342 186.4
[M+Na-2H]- 233.08424 149.3
[M]+ 212.10902 146.5
[M]- 212.11012 146.5
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