CID 71300717

Usaf el-87

Structural Information

Molecular Formula
C8H12N4O3S
SMILES
CC1(C(=O)NC(=O)NC1=O)CCNC(=S)N
InChI
InChI=1S/C8H12N4O3S/c1-8(2-3-10-6(9)16)4(13)11-7(15)12-5(8)14/h2-3H2,1H3,(H3,9,10,16)(H2,11,12,13,14,15)
InChIKey
KFSFNKRXSCEANG-UHFFFAOYSA-N
Compound name
2-(5-methyl-2,4,6-trioxo-1,3-diazinan-5-yl)ethylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.06302 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.07030 151.3
[M+Na]+ 267.05224 157.6
[M-H]- 243.05574 148.7
[M+NH4]+ 262.09684 166.2
[M+K]+ 283.02618 153.0
[M+H-H2O]+ 227.06028 145.7
[M+HCOO]- 289.06122 162.5
[M+CH3COO]- 303.07687 189.7
[M+Na-2H]- 265.03769 151.7
[M]+ 244.06247 145.9
[M]- 244.06357 145.9
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.