CID 3038172

Uracil, 1,3-dimethyl-5-(ethylthiourea)-

Structural Information

Molecular Formula
C9H14N4O2S
SMILES
CCNC(=S)NC1=CC(=O)N(C(=O)N1C)C
InChI
InChI=1S/C9H14N4O2S/c1-4-10-8(16)11-6-5-7(14)13(3)9(15)12(6)2/h5H,4H2,1-3H3,(H2,10,11,16)
InChIKey
YWEHYAWWMITAGN-UHFFFAOYSA-N
Compound name
1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-ethylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.08374 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.09102 151.9
[M+Na]+ 265.07296 161.8
[M-H]- 241.07646 154.1
[M+NH4]+ 260.11756 167.6
[M+K]+ 281.04690 157.7
[M+H-H2O]+ 225.08100 144.6
[M+HCOO]- 287.08194 170.3
[M+CH3COO]- 301.09759 196.4
[M+Na-2H]- 263.05841 153.7
[M]+ 242.08319 154.8
[M]- 242.08429 154.8
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

patents stripe